1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one

C12H15NO — CID 130927828

IUPAC1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CC2=CCCC2)c(=O)c1
InChIInChI=1S/C12H15NO/c1-10-6-7-13(12(14)8-10)9-11-4-2-3-5-11/h4,6-8H,2-3,5,9H2,1H3
InChIKeyDHIDGVNKMGPVOW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.27
Rot. Bonds2

About 1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one

1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one (PubChem CID 130927828) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one
PubChem CID130927828
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CC2=CCCC2)c(=O)c1
InChIInChI=1S/C12H15NO/c1-10-6-7-13(12(14)8-10)9-11-4-2-3-5-11/h4,6-8H,2-3,5,9H2,1H3
InChIKeyDHIDGVNKMGPVOW-UHFFFAOYSA-N
XLogP2.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one?
The IUPAC name of 1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one (CID 130927828) is 1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one?
The canonical SMILES for 1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one is Cc1ccn(CC2=CCCC2)c(=O)c1.
What is the InChIKey of 1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one?
The InChIKey is DHIDGVNKMGPVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-6-7-13(12(14)8-10)9-11-4-2-3-5-11/h4,6-8H,2-3,5,9H2,1H3.
What are the key properties of 1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one?
1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-ylmethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 130927828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).