1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole

C120H205N13O2S — CID 157408553

IUPAC1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole
SMILESCC(C)C1=C(C(C)C)CCCC1.CC(C)C1=C(C(C)C)N(C)CCO1.CC(C)C1=C(C(C)C)NCCC1.CC(C)C1=C(C(C)C)OCCN1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccn(C)c1C(C)C.CC(C)c1ccn(Cc2ccccc2)c1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1nsnc1C(C)C
InChIInChI=1S/C17H23N.C12H22.C11H21NO.C11H19N.C11H21N.C11H17N.C10H16N2.C10H19NO.C10H17N.C9H16N2.C8H14N2S/c1-13(2)16-10-11-18(17(16)14(3)4)12-15-8-6-5-7-9-15;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-11(9(3)4)13-7-6-12(10)5;1-8(2)10-6-7-12(5)11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;2*1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-6-11-10(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-5(2)7-8(6(3)4)10-11-9-7/h5-11,13-14H,12H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;6-9H,1-5H3;8-9,12H,5-7H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;7-8,11H,5-6H2,1-4H3;5-8,11H,1-4H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3
InChIKeyBNZXJGWETCFNPC-UHFFFAOYSA-N
MW1894.12 g/mol
LogP34.52
Rot. Bonds24

About 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole

1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole (PubChem CID 157408553) has the molecular formula C120H205N13O2S and a molecular weight of 1894.12 g/mol. Its IUPAC name is 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole.

Molecular Properties

Compound Name1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole
PubChem CID157408553
Molecular FormulaC120H205N13O2S
Molecular Weight1894.12 g/mol
Exact Mass1892.61
IUPAC Name1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole
SMILESCC(C)C1=C(C(C)C)CCCC1.CC(C)C1=C(C(C)C)N(C)CCO1.CC(C)C1=C(C(C)C)NCCC1.CC(C)C1=C(C(C)C)OCCN1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccn(C)c1C(C)C.CC(C)c1ccn(Cc2ccccc2)c1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1nsnc1C(C)C
InChIInChI=1S/C17H23N.C12H22.C11H21NO.C11H19N.C11H21N.C11H17N.C10H16N2.C10H19NO.C10H17N.C9H16N2.C8H14N2S/c1-13(2)16-10-11-18(17(16)14(3)4)12-15-8-6-5-7-9-15;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-11(9(3)4)13-7-6-12(10)5;1-8(2)10-6-7-12(5)11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;2*1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-6-11-10(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-5(2)7-8(6(3)4)10-11-9-7/h5-11,13-14H,12H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;6-9H,1-5H3;8-9,12H,5-7H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;7-8,11H,5-6H2,1-4H3;5-8,11H,1-4H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3
InChIKeyBNZXJGWETCFNPC-UHFFFAOYSA-N
XLogP34.52
TPSA164.54 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001894.12
LogP ≤ 534.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole?
The IUPAC name of 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole (CID 157408553) is 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole.
What is the SMILES notation for 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole?
The canonical SMILES for 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole is CC(C)C1=C(C(C)C)CCCC1.CC(C)C1=C(C(C)C)N(C)CCO1.CC(C)C1=C(C(C)C)NCCC1.CC(C)C1=C(C(C)C)OCCN1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccn(C)c1C(C)C.CC(C)c1ccn(Cc2ccccc2)c1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1nccnc1C(C)C.CC(C)c1nsnc1C(C)C.
What is the InChIKey of 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole?
The InChIKey is BNZXJGWETCFNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C12H22.C11H21NO.C11H19N.C11H21N.C11H17N.C10H16N2.C10H19NO.C10H17N.C9H16N2.C8H14N2S/c1-13(2)16-10-11-18(17(16)14(3)4)12-15-8-6-5-7-9-15;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-11(9(3)4)13-7-6-12(10)5;1-8(2)10-6-7-12(5)11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;2*1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-6-11-10(9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-5(2)7-8(6(3)4)10-11-9-7/h5-11,13-14H,12H2,1-4H3;9-10H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;6-9H,1-5H3;8-9,12H,5-7H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;7-8,11H,5-6H2,1-4H3;5-8,11H,1-4H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3.
What are the key properties of 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole?
1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole has a molecular weight of 1894.12 g/mol, XLogP of 34.52, 24 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)cyclohexene;5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-oxazine;4,5-di(propan-2-yl)-1H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;2,3-di(propan-2-yl)-1H-pyrrole;5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridine;3,4-di(propan-2-yl)-1,2,5-thiadiazole;4-methyl-5,6-di(propan-2-yl)-2,3-dihydro-1,4-oxazine;1-methyl-2,3-di(propan-2-yl)pyrrole is sourced from PubChem (CID 157408553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).