(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone

C21H26N2O — CID 134031545

IUPAC(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc32)c(C)n1C1CCCCC1
InChIInChI=1S/C21H26N2O/c1-15-14-19(16(2)23(15)18-9-4-3-5-10-18)21(24)22-13-12-17-8-6-7-11-20(17)22/h6-8,11,14,18H,3-5,9-10,12-13H2,1-2H3
InChIKeyLQHAHBQONBODHI-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.81
Rot. Bonds2

About (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone

(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 134031545) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID134031545
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc32)c(C)n1C1CCCCC1
InChIInChI=1S/C21H26N2O/c1-15-14-19(16(2)23(15)18-9-4-3-5-10-18)21(24)22-13-12-17-8-6-7-11-20(17)22/h6-8,11,14,18H,3-5,9-10,12-13H2,1-2H3
InChIKeyLQHAHBQONBODHI-UHFFFAOYSA-N
XLogP4.81
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone
CID 110655143
2-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 75429076
[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 55564192
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561064
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 16516737
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
[4-(1-aminoethyl)piperidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 119518049
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone
CID 110656364
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124611414
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
2-(4-benzoylpiperazin-1-yl)-1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110659197

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone (CID 134031545) is (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone is Cc1cc(C(=O)N2CCc3ccccc32)c(C)n1C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is LQHAHBQONBODHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-14-19(16(2)23(15)18-9-4-3-5-10-18)21(24)22-13-12-17-8-6-7-11-20(17)22/h6-8,11,14,18H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone?
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 322.45 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 134031545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).