3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one

C14H16O3 — CID 139508683

IUPAC3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one
SMILESC=C1C(=O)CCC1c1cccc(OC)c1OC
InChIInChI=1S/C14H16O3/c1-9-10(7-8-12(9)15)11-5-4-6-13(16-2)14(11)17-3/h4-6,10H,1,7-8H2,2-3H3
InChIKeySAJFVOGQVUPBEM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.71
Rot. Bonds3

About 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one

3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one (PubChem CID 139508683) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one
PubChem CID139508683
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one
SMILESC=C1C(=O)CCC1c1cccc(OC)c1OC
InChIInChI=1S/C14H16O3/c1-9-10(7-8-12(9)15)11-5-4-6-13(16-2)14(11)17-3/h4-6,10H,1,7-8H2,2-3H3
InChIKeySAJFVOGQVUPBEM-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-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

1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
(4R)-4-(2,3-dimethoxyphenyl)imidazolidin-2-one
CID 171252494
7-methoxy-4-(2-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12623955
(4R)-4-(2,3-dimethoxyphenyl)-1,3-oxazinan-2-one
CID 171184846
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
4-(2,3-dimethoxyphenyl)pyrrolidin-2-one
CID 66106301
5-(2,3-dimethoxyphenyl)pyrazolidin-3-one
CID 4054499
(4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 707503
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2997035
cyclohexyl 4-(2,3-dimethoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 5069490
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56698823
6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83822143

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one (CID 139508683) is 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one is C=C1C(=O)CCC1c1cccc(OC)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one?
The InChIKey is SAJFVOGQVUPBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-9-10(7-8-12(9)15)11-5-4-6-13(16-2)14(11)17-3/h4-6,10H,1,7-8H2,2-3H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one?
3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one has a molecular weight of 232.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-2-methylidenecyclopentan-1-one is sourced from PubChem (CID 139508683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).