2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one

C11H16O2 — CID 154707718

IUPAC2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one
SMILESC=CC[C@@H](CC1=CCCC1=O)OC
InChIInChI=1S/C11H16O2/c1-3-5-10(13-2)8-9-6-4-7-11(9)12/h3,6,10H,1,4-5,7-8H2,2H3/t10-/m0/s1
InChIKeyIWIUUDFZFXOSQK-JTQLQIEISA-N
MW180.25 g/mol
LogP2.26
Rot. Bonds5

About 2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one

2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one (PubChem CID 154707718) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one
PubChem CID154707718
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one
SMILESC=CC[C@@H](CC1=CCCC1=O)OC
InChIInChI=1S/C11H16O2/c1-3-5-10(13-2)8-9-6-4-7-11(9)12/h3,6,10H,1,4-5,7-8H2,2H3/t10-/m0/s1
InChIKeyIWIUUDFZFXOSQK-JTQLQIEISA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-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-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one (CID 154707718) is 2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one is C=CC[C@@H](CC1=CCCC1=O)OC.
What is the InChIKey of 2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one?
The InChIKey is IWIUUDFZFXOSQK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16O2/c1-3-5-10(13-2)8-9-6-4-7-11(9)12/h3,6,10H,1,4-5,7-8H2,2H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one?
2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 154707718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).