1-(2-methylidenecyclopentyl)propan-2-one

C9H14O — CID 12768654

IUPAC1-(2-methylidenecyclopentyl)propan-2-one
SMILESC=C1CCCC1CC(C)=O
InChIInChI=1S/C9H14O/c1-7-4-3-5-9(7)6-8(2)10/h9H,1,3-6H2,2H3
InChIKeyGTVAOMJXHFTNCD-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-methylidenecyclopentyl)propan-2-one

1-(2-methylidenecyclopentyl)propan-2-one (PubChem CID 12768654) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(2-methylidenecyclopentyl)propan-2-one.

Molecular Properties

Compound Name1-(2-methylidenecyclopentyl)propan-2-one
PubChem CID12768654
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-(2-methylidenecyclopentyl)propan-2-one
SMILESC=C1CCCC1CC(C)=O
InChIInChI=1S/C9H14O/c1-7-4-3-5-9(7)6-8(2)10/h9H,1,3-6H2,2H3
InChIKeyGTVAOMJXHFTNCD-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methylidenecyclopentyl)propan-2-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 1-(2-methylidenecyclopentyl)propan-2-one?
The IUPAC name of 1-(2-methylidenecyclopentyl)propan-2-one (CID 12768654) is 1-(2-methylidenecyclopentyl)propan-2-one.
What is the SMILES notation for 1-(2-methylidenecyclopentyl)propan-2-one?
The canonical SMILES for 1-(2-methylidenecyclopentyl)propan-2-one is C=C1CCCC1CC(C)=O.
What is the InChIKey of 1-(2-methylidenecyclopentyl)propan-2-one?
The InChIKey is GTVAOMJXHFTNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7-4-3-5-9(7)6-8(2)10/h9H,1,3-6H2,2H3.
What are the key properties of 1-(2-methylidenecyclopentyl)propan-2-one?
1-(2-methylidenecyclopentyl)propan-2-one has a molecular weight of 138.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidenecyclopentyl)propan-2-one is sourced from PubChem (CID 12768654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).