cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one

C10H14O — CID 134905301

IUPACcis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@H]1C(=O)CC[C@H]1C=C
InChIInChI=1S/C10H14O/c1-3-5-9-8(4-2)6-7-10(9)11/h3-4,8-9H,1-2,5-7H2/t8-,9-/m1/s1
InChIKeyJQBLRRQHSWALKV-RKDXNWHRSA-N
MW150.22 g/mol
LogP2.34
Rot. Bonds3

About cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one

cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one (PubChem CID 134905301) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one
PubChem CID134905301
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namecis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@H]1C(=O)CC[C@H]1C=C
InChIInChI=1S/C10H14O/c1-3-5-9-8(4-2)6-7-10(9)11/h3-4,8-9H,1-2,5-7H2/t8-,9-/m1/s1
InChIKeyJQBLRRQHSWALKV-RKDXNWHRSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-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 cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one (CID 134905301) is cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one is C=CC[C@H]1C(=O)CC[C@H]1C=C.
What is the InChIKey of cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one?
The InChIKey is JQBLRRQHSWALKV-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14O/c1-3-5-9-8(4-2)6-7-10(9)11/h3-4,8-9H,1-2,5-7H2/t8-,9-/m1/s1.
What are the key properties of cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one?
cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-3-ethenyl-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 134905301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).