1-(cyclopentylmethyl)-5-methylpyridin-2-one

C12H17NO — CID 167142146

IUPAC1-(cyclopentylmethyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CC2CCCC2)c1
InChIInChI=1S/C12H17NO/c1-10-6-7-12(14)13(8-10)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyPKERKGLZKSRBEU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.35
Rot. Bonds2

About 1-(cyclopentylmethyl)-5-methylpyridin-2-one

1-(cyclopentylmethyl)-5-methylpyridin-2-one (PubChem CID 167142146) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-5-methylpyridin-2-one
PubChem CID167142146
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(cyclopentylmethyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CC2CCCC2)c1
InChIInChI=1S/C12H17NO/c1-10-6-7-12(14)13(8-10)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyPKERKGLZKSRBEU-UHFFFAOYSA-N
XLogP2.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-5-methylpyridin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-5-methylpyridin-2-one (CID 167142146) is 1-(cyclopentylmethyl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-5-methylpyridin-2-one is Cc1ccc(=O)n(CC2CCCC2)c1.
What is the InChIKey of 1-(cyclopentylmethyl)-5-methylpyridin-2-one?
The InChIKey is PKERKGLZKSRBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-6-7-12(14)13(8-10)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-5-methylpyridin-2-one?
1-(cyclopentylmethyl)-5-methylpyridin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-5-methylpyridin-2-one is sourced from PubChem (CID 167142146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).