(3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one

C9H14O — CID 11550021

IUPAC(3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one
SMILESC=C(C)[C@H]1CCC(=O)C1C
InChIInChI=1S/C9H14O/c1-6(2)8-4-5-9(10)7(8)3/h7-8H,1,4-5H2,2-3H3/t7?,8-/m1/s1
InChIKeySSOMEMHVUMAMMW-BRFYHDHCSA-N
MW138.21 g/mol
LogP2.18
Rot. Bonds1

About (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one

(3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one (PubChem CID 11550021) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name(3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one
PubChem CID11550021
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one
SMILESC=C(C)[C@H]1CCC(=O)C1C
InChIInChI=1S/C9H14O/c1-6(2)8-4-5-9(10)7(8)3/h7-8H,1,4-5H2,2-3H3/t7?,8-/m1/s1
InChIKeySSOMEMHVUMAMMW-BRFYHDHCSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-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 (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one?
The IUPAC name of (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one (CID 11550021) is (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one.
What is the SMILES notation for (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one?
The canonical SMILES for (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one is C=C(C)[C@H]1CCC(=O)C1C.
What is the InChIKey of (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one?
The InChIKey is SSOMEMHVUMAMMW-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H14O/c1-6(2)8-4-5-9(10)7(8)3/h7-8H,1,4-5H2,2-3H3/t7?,8-/m1/s1.
What are the key properties of (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one?
(3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-prop-1-en-2-ylcyclopentan-1-one is sourced from PubChem (CID 11550021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).