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

C12H13NO2 — CID 24894068

IUPAC3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one
SMILESCOc1ccc(C2=C(C)C(=O)CC2)cn1
InChIInChI=1S/C12H13NO2/c1-8-10(4-5-11(8)14)9-3-6-12(15-2)13-7-9/h3,6-7H,4-5H2,1-2H3
InChIKeyLPVKUVZPZNDLSQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.23
Rot. Bonds2

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

3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one (PubChem CID 24894068) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one
PubChem CID24894068
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one
SMILESCOc1ccc(C2=C(C)C(=O)CC2)cn1
InChIInChI=1S/C12H13NO2/c1-8-10(4-5-11(8)14)9-3-6-12(15-2)13-7-9/h3,6-7H,4-5H2,1-2H3
InChIKeyLPVKUVZPZNDLSQ-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-3-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

Related Compounds

4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
(2E)-5-Methoxy-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1Hinden-1-one (11b)
CID 122172776
(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559
2-Pyridin-3-ylchromen-4-one
CID 241786
3-(Furan-2-yl)pyridine
CID 11137298
2-(Pyridin-4-yl)-4h-chromen-4-one
CID 242586
1-(4-Methoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5717022
3-(3-Methoxyphenyl)-1-(4-pyridinyl)-2-propen-1-one
CID 5837372
3-(4-Methoxyphenyl)-1-(2-pyridinyl)-2-propen-1-one
CID 6035979
3-(2-Methoxy-phenyl)-1-pyridin-3-YL-propenone
CID 6174007
3-(3-Methoxy-phenyl)-1-pyridin-3-YL-propenone
CID 6258621
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one (CID 24894068) is 3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one is COc1ccc(C2=C(C)C(=O)CC2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one?
The InChIKey is LPVKUVZPZNDLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-10(4-5-11(8)14)9-3-6-12(15-2)13-7-9/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-2-methylcyclopent-2-en-1-one?
3-(6-methoxy-3-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-3-pyridinyl)-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 24894068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).