2-methyl-3-methylidenecyclopentan-1-one

C7H10O — CID 58905861

IUPAC2-methyl-3-methylidenecyclopentan-1-one
SMILESC=C1CCC(=O)C1C
InChIInChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h6H,1,3-4H2,2H3
InChIKeyRONXZCNDLKQEIG-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds

About 2-methyl-3-methylidenecyclopentan-1-one

2-methyl-3-methylidenecyclopentan-1-one (PubChem CID 58905861) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-methyl-3-methylidenecyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-3-methylidenecyclopentan-1-one
PubChem CID58905861
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-methyl-3-methylidenecyclopentan-1-one
SMILESC=C1CCC(=O)C1C
InChIInChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h6H,1,3-4H2,2H3
InChIKeyRONXZCNDLKQEIG-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-3-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidenecyclopentan-1-one?
The IUPAC name of 2-methyl-3-methylidenecyclopentan-1-one (CID 58905861) is 2-methyl-3-methylidenecyclopentan-1-one.
What is the SMILES notation for 2-methyl-3-methylidenecyclopentan-1-one?
The canonical SMILES for 2-methyl-3-methylidenecyclopentan-1-one is C=C1CCC(=O)C1C.
What is the InChIKey of 2-methyl-3-methylidenecyclopentan-1-one?
The InChIKey is RONXZCNDLKQEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h6H,1,3-4H2,2H3.
What are the key properties of 2-methyl-3-methylidenecyclopentan-1-one?
2-methyl-3-methylidenecyclopentan-1-one has a molecular weight of 110.16 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidenecyclopentan-1-one is sourced from PubChem (CID 58905861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).