1-cyclopentyl-2-pyridin-4-ylethanone

C12H15NO — CID 62551395

IUPAC1-cyclopentyl-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)C1CCCC1
InChIInChI=1S/C12H15NO/c14-12(11-3-1-2-4-11)9-10-5-7-13-8-6-10/h5-8,11H,1-4,9H2
InChIKeyIVBDNGWCERYRQL-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.38
Rot. Bonds3

About 1-cyclopentyl-2-pyridin-4-ylethanone

1-cyclopentyl-2-pyridin-4-ylethanone (PubChem CID 62551395) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-cyclopentyl-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-pyridin-4-ylethanone
PubChem CID62551395
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-cyclopentyl-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)C1CCCC1
InChIInChI=1S/C12H15NO/c14-12(11-3-1-2-4-11)9-10-5-7-13-8-6-10/h5-8,11H,1-4,9H2
InChIKeyIVBDNGWCERYRQL-UHFFFAOYSA-N
XLogP2.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyridin-4-yl-1-(9-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171945203
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone
CID 171945188
1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
CID 116587341
1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone
CID 58040940
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-pyridin-4-ylethanone?
The IUPAC name of 1-cyclopentyl-2-pyridin-4-ylethanone (CID 62551395) is 1-cyclopentyl-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-cyclopentyl-2-pyridin-4-ylethanone?
The canonical SMILES for 1-cyclopentyl-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-pyridin-4-ylethanone?
The InChIKey is IVBDNGWCERYRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12(11-3-1-2-4-11)9-10-5-7-13-8-6-10/h5-8,11H,1-4,9H2.
What are the key properties of 1-cyclopentyl-2-pyridin-4-ylethanone?
1-cyclopentyl-2-pyridin-4-ylethanone has a molecular weight of 189.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-pyridin-4-ylethanone is sourced from PubChem (CID 62551395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).