5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline

C158H216N8O3S2 — CID 157180881

IUPAC5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)C1CCCc2ccccc21.CC(C)C1CCCc2ncccc21.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2N1.CC(C)C1Cc2cccnc2C1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C13H18.C12H17N.C12H16O.3C12H16.C11H15NO.4C11H15N.C11H14O.C10H15NS.C9H13NS/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)10-6-9-4-3-5-12-11(9)7-10;2*1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-10-7-4-3-5-8(7)11-9/h3-4,6,8,10,12H,5,7,9H2,1-2H3;4,6,8-10H,3,5,7H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;3-6,8,11-12H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyAOOBDYLSSBAQCY-UHFFFAOYSA-N
MW2339.65 g/mol
LogP40.90
Rot. Bonds14

About 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline

5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 157180881) has the molecular formula C158H216N8O3S2 and a molecular weight of 2339.65 g/mol. Its IUPAC name is 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline
PubChem CID157180881
Molecular FormulaC158H216N8O3S2
Molecular Weight2339.65 g/mol
Exact Mass2337.64
IUPAC Name5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)C1CCCc2ccccc21.CC(C)C1CCCc2ncccc21.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2N1.CC(C)C1Cc2cccnc2C1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C13H18.C12H17N.C12H16O.3C12H16.C11H15NO.4C11H15N.C11H14O.C10H15NS.C9H13NS/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)10-6-9-4-3-5-12-11(9)7-10;2*1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-10-7-4-3-5-8(7)11-9/h3-4,6,8,10,12H,5,7,9H2,1-2H3;4,6,8-10H,3,5,7H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;3-6,8,11-12H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyAOOBDYLSSBAQCY-UHFFFAOYSA-N
XLogP40.90
TPSA129.95 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002339.65
LogP ≤ 540.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline (CID 157180881) is 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline is CC(C)C1CCCc2ccccc21.CC(C)C1CCCc2ncccc21.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2N1.CC(C)C1Cc2cccnc2C1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2.
What is the InChIKey of 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is AOOBDYLSSBAQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C12H17N.C12H16O.3C12H16.C11H15NO.4C11H15N.C11H14O.C10H15NS.C9H13NS/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)10-6-9-4-3-5-12-11(9)7-10;2*1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-10-7-4-3-5-8(7)11-9/h3-4,6,8,10,12H,5,7,9H2,1-2H3;4,6,8-10H,3,5,7H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;2*6-8H,3-5H2,1-2H3;3-6,8,11-12H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline?
5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 2339.65 g/mol, XLogP of 40.90, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 157180881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).