5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole

C174H242N16O6S — CID 159663721

IUPAC5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole
SMILESCC(C)C1COCc2ccccc21.CC(C)C1COCc2ncccc21.CC(C)C1Cc2cccnc2C1.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2cccnc21.CC(C)c1cc2c([nH]1)CC=CC2.CC(C)c1cc2c([nH]1)CCCC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1ccc2c(n1)NCC2.CC(C)c1nc2c(s1)CCCC2.CC(C)n1ccc2c1CCCC2
InChIInChI=1S/C12H17N.C12H16O.3C11H15NO.3C11H15N.C11H17N.C11H15N.C11H17N.C11H15N.2C10H14N2.C10H15NS.C10H12O2/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-13-7-11-9(10)4-3-5-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;6-8H,3-5H2,1-2H3;7-9H,3-6H2,1-2H3;3-6,9H,7-8H2,1-2H3;7-8,12H,3-6H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,11,12);3-4,6,8H,5,7H2,1-2H3;7H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyMTDGETJAJMFNMU-UHFFFAOYSA-N
MW2686.02 g/mol
LogP41.90
Rot. Bonds16

About 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole

5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole (PubChem CID 159663721) has the molecular formula C174H242N16O6S and a molecular weight of 2686.02 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole
PubChem CID159663721
Molecular FormulaC174H242N16O6S
Molecular Weight2686.02 g/mol
Exact Mass2683.88
IUPAC Name5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole
SMILESCC(C)C1COCc2ccccc21.CC(C)C1COCc2ncccc21.CC(C)C1Cc2cccnc2C1.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2cccnc21.CC(C)c1cc2c([nH]1)CC=CC2.CC(C)c1cc2c([nH]1)CCCC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1ccc2c(n1)NCC2.CC(C)c1nc2c(s1)CCCC2.CC(C)n1ccc2c1CCCC2
InChIInChI=1S/C12H17N.C12H16O.3C11H15NO.3C11H15N.C11H17N.C11H15N.C11H17N.C11H15N.2C10H14N2.C10H15NS.C10H12O2/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-13-7-11-9(10)4-3-5-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;6-8H,3-5H2,1-2H3;7-9H,3-6H2,1-2H3;3-6,9H,7-8H2,1-2H3;7-8,12H,3-6H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,11,12);3-4,6,8H,5,7H2,1-2H3;7H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyMTDGETJAJMFNMU-UHFFFAOYSA-N
XLogP41.90
TPSA227.93 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002686.02
LogP ≤ 541.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole with MolForge

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Related Compounds

1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine
CID 161262790
methane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole
CID 157087720
5-propan-2-yl-1,3-benzodioxole;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 160226641
5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 160944541
cumene;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
CID 161009594
cumene;methane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
CID 161130091

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole (CID 159663721) is 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole is CC(C)C1COCc2ccccc21.CC(C)C1COCc2ncccc21.CC(C)C1Cc2cccnc2C1.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2cccnc21.CC(C)c1cc2c([nH]1)CC=CC2.CC(C)c1cc2c([nH]1)CCCC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1ccc2c(n1)NCC2.CC(C)c1nc2c(s1)CCCC2.CC(C)n1ccc2c1CCCC2.
What is the InChIKey of 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is MTDGETJAJMFNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H16O.3C11H15NO.3C11H15N.C11H17N.C11H15N.C11H17N.C11H15N.2C10H14N2.C10H15NS.C10H12O2/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-13-7-11-9(10)4-3-5-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;6-8H,3-5H2,1-2H3;7-9H,3-6H2,1-2H3;3-6,9H,7-8H2,1-2H3;7-8,12H,3-6H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,11,12);3-4,6,8H,5,7H2,1-2H3;7H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole?
5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 2686.02 g/mol, XLogP of 41.90, 16 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 159663721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).