1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one

C16H25NO — CID 114191635

IUPAC1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one
SMILESCCCC(=O)c1ccn(CCC2CCCCC2)c1
InChIInChI=1S/C16H25NO/c1-2-6-16(18)15-10-12-17(13-15)11-9-14-7-4-3-5-8-14/h10,12-14H,2-9,11H2,1H3
InChIKeyWQOHLSKXCSVTHM-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.44
Rot. Bonds6

About 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one

1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one (PubChem CID 114191635) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one
PubChem CID114191635
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one
SMILESCCCC(=O)c1ccn(CCC2CCCCC2)c1
InChIInChI=1S/C16H25NO/c1-2-6-16(18)15-10-12-17(13-15)11-9-14-7-4-3-5-8-14/h10,12-14H,2-9,11H2,1H3
InChIKeyWQOHLSKXCSVTHM-UHFFFAOYSA-N
XLogP4.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]butan-1-one
CID 79109205
1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]butan-1-one
CID 79105630
3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one
CID 163213475
2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 79108707
1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone
CID 79106828
1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid
CID 56631463
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
CID 114964350
3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
CID 115481878
4-cyclohexyl-1-(4-methylphenyl)butan-1-one
CID 10514463
3-cyclohexyl-1-(furan-3-yl)propan-1-one
CID 114971693
1-cyclohexylhexan-3-one
CID 10856142
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79108030

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one?
The IUPAC name of 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one (CID 114191635) is 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one.
What is the SMILES notation for 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one?
The canonical SMILES for 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one is CCCC(=O)c1ccn(CCC2CCCCC2)c1.
What is the InChIKey of 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one?
The InChIKey is WQOHLSKXCSVTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-6-16(18)15-10-12-17(13-15)11-9-14-7-4-3-5-8-14/h10,12-14H,2-9,11H2,1H3.
What are the key properties of 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one?
1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one has a molecular weight of 247.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohexylethyl)pyrrol-3-yl]butan-1-one is sourced from PubChem (CID 114191635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).