3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one

C12H13NO2 — CID 24894067

IUPAC3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one
SMILESCOc1cccc(C2=C(C)C(=O)CC2)n1
InChIInChI=1S/C12H13NO2/c1-8-9(6-7-11(8)14)10-4-3-5-12(13-10)15-2/h3-5H,6-7H2,1-2H3
InChIKeyOFDOOXWPOZMVFV-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.23
Rot. Bonds2

About 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one

3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one (PubChem CID 24894067) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one
PubChem CID24894067
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one
SMILESCOc1cccc(C2=C(C)C(=O)CC2)n1
InChIInChI=1S/C12H13NO2/c1-8-9(6-7-11(8)14)10-4-3-5-12(13-10)15-2/h3-5H,6-7H2,1-2H3
InChIKeyOFDOOXWPOZMVFV-UHFFFAOYSA-N
XLogP2.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-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

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one (CID 24894067) is 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one is COc1cccc(C2=C(C)C(=O)CC2)n1.
What is the InChIKey of 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one?
The InChIKey is OFDOOXWPOZMVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-9(6-7-11(8)14)10-4-3-5-12(13-10)15-2/h3-5H,6-7H2,1-2H3.
What are the key properties of 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one?
3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one has a molecular weight of 203.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-pyridinyl)-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 24894067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).