(1-cyclohexylpyrrol-2-yl)-phenylmethanone

C17H19NO — CID 25137250

IUPAC(1-cyclohexylpyrrol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cccn1C1CCCCC1
InChIInChI=1S/C17H19NO/c19-17(14-8-3-1-4-9-14)16-12-7-13-18(16)15-10-5-2-6-11-15/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2
InChIKeyJWZCHEAECCSSII-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.22
Rot. Bonds3

About (1-cyclohexylpyrrol-2-yl)-phenylmethanone

(1-cyclohexylpyrrol-2-yl)-phenylmethanone (PubChem CID 25137250) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1-cyclohexylpyrrol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-cyclohexylpyrrol-2-yl)-phenylmethanone
PubChem CID25137250
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1-cyclohexylpyrrol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cccn1C1CCCCC1
InChIInChI=1S/C17H19NO/c19-17(14-8-3-1-4-9-14)16-12-7-13-18(16)15-10-5-2-6-11-15/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2
InChIKeyJWZCHEAECCSSII-UHFFFAOYSA-N
XLogP4.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylpyrrole-2-carboxamide
CID 150262171
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854
1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
CID 114609767
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
(3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564823
(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110009433
(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034669
2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 166275939
dimethyl 2,5-dibenzoyl-1-cyclohexylpyrrole-3,4-dicarboxylate
CID 10504659
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylpyrrol-2-yl)-phenylmethanone?
The IUPAC name of (1-cyclohexylpyrrol-2-yl)-phenylmethanone (CID 25137250) is (1-cyclohexylpyrrol-2-yl)-phenylmethanone.
What is the SMILES notation for (1-cyclohexylpyrrol-2-yl)-phenylmethanone?
The canonical SMILES for (1-cyclohexylpyrrol-2-yl)-phenylmethanone is O=C(c1ccccc1)c1cccn1C1CCCCC1.
What is the InChIKey of (1-cyclohexylpyrrol-2-yl)-phenylmethanone?
The InChIKey is JWZCHEAECCSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(14-8-3-1-4-9-14)16-12-7-13-18(16)15-10-5-2-6-11-15/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2.
What are the key properties of (1-cyclohexylpyrrol-2-yl)-phenylmethanone?
(1-cyclohexylpyrrol-2-yl)-phenylmethanone has a molecular weight of 253.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylpyrrol-2-yl)-phenylmethanone is sourced from PubChem (CID 25137250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).