(1-methylcyclopent-3-en-1-yl)-phenylmethanone

C13H14O — CID 11106063

IUPAC(1-methylcyclopent-3-en-1-yl)-phenylmethanone
SMILESCC1(C(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C13H14O/c1-13(9-5-6-10-13)12(14)11-7-3-2-4-8-11/h2-8H,9-10H2,1H3
InChIKeySUICHWVWJUVFPX-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.23
Rot. Bonds2

About (1-methylcyclopent-3-en-1-yl)-phenylmethanone

(1-methylcyclopent-3-en-1-yl)-phenylmethanone (PubChem CID 11106063) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (1-methylcyclopent-3-en-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-methylcyclopent-3-en-1-yl)-phenylmethanone
PubChem CID11106063
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(1-methylcyclopent-3-en-1-yl)-phenylmethanone
SMILESCC1(C(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C13H14O/c1-13(9-5-6-10-13)12(14)11-7-3-2-4-8-11/h2-8H,9-10H2,1H3
InChIKeySUICHWVWJUVFPX-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1-methylcyclopent-3-en-1-yl)-phenylmethanone 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-fluorocyclopropyl)-phenylmethanone
CID 18983537
(1-benzoyl-2-methylcyclopropyl)-phenylmethanone
CID 132510708
[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone
CID 154121053
fluoromethane benzoate
CID 162095004
1,2-diphenylethane-1,2-dione;iron
CID 70488368
(1-methylcyclohex-3-en-1-yl) benzoate
CID 134859069
bis(4-benzoyl-4-methylcyclohexa-1,5-dien-1-yl)methanone
CID 67009867
iron;1-phenylethanone
CID 70488357
(3-methyl-1,4-dioxaspiro[4.4]nonan-3-yl)-phenylmethanone
CID 22416111
(1-benzoylcyclooctyl)-phenylmethanone
CID 175521310
[(2R)-2-methyl-3,3-diphenyloxiran-2-yl]-phenylmethanone
CID 100931886
(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
CID 15402871

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopent-3-en-1-yl)-phenylmethanone?
The IUPAC name of (1-methylcyclopent-3-en-1-yl)-phenylmethanone (CID 11106063) is (1-methylcyclopent-3-en-1-yl)-phenylmethanone.
What is the SMILES notation for (1-methylcyclopent-3-en-1-yl)-phenylmethanone?
The canonical SMILES for (1-methylcyclopent-3-en-1-yl)-phenylmethanone is CC1(C(=O)c2ccccc2)CC=CC1.
What is the InChIKey of (1-methylcyclopent-3-en-1-yl)-phenylmethanone?
The InChIKey is SUICHWVWJUVFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-13(9-5-6-10-13)12(14)11-7-3-2-4-8-11/h2-8H,9-10H2,1H3.
What are the key properties of (1-methylcyclopent-3-en-1-yl)-phenylmethanone?
(1-methylcyclopent-3-en-1-yl)-phenylmethanone has a molecular weight of 186.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopent-3-en-1-yl)-phenylmethanone is sourced from PubChem (CID 11106063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).