3-but-2-enoxycyclopentan-1-one

C9H14O2 — CID 79643347

IUPAC3-but-2-enoxycyclopentan-1-one
SMILESCC=CCOC1CCC(=O)C1
InChIInChI=1S/C9H14O2/c1-2-3-6-11-9-5-4-8(10)7-9/h2-3,9H,4-7H2,1H3
InChIKeyZCXABPBJRYOXCP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds3

About 3-but-2-enoxycyclopentan-1-one

3-but-2-enoxycyclopentan-1-one (PubChem CID 79643347) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-but-2-enoxycyclopentan-1-one.

Molecular Properties

Compound Name3-but-2-enoxycyclopentan-1-one
PubChem CID79643347
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-but-2-enoxycyclopentan-1-one
SMILESCC=CCOC1CCC(=O)C1
InChIInChI=1S/C9H14O2/c1-2-3-6-11-9-5-4-8(10)7-9/h2-3,9H,4-7H2,1H3
InChIKeyZCXABPBJRYOXCP-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-but-2-enoxycyclopentan-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 3-but-2-enoxycyclopentan-1-one?
The IUPAC name of 3-but-2-enoxycyclopentan-1-one (CID 79643347) is 3-but-2-enoxycyclopentan-1-one.
What is the SMILES notation for 3-but-2-enoxycyclopentan-1-one?
The canonical SMILES for 3-but-2-enoxycyclopentan-1-one is CC=CCOC1CCC(=O)C1.
What is the InChIKey of 3-but-2-enoxycyclopentan-1-one?
The InChIKey is ZCXABPBJRYOXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-6-11-9-5-4-8(10)7-9/h2-3,9H,4-7H2,1H3.
What are the key properties of 3-but-2-enoxycyclopentan-1-one?
3-but-2-enoxycyclopentan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enoxycyclopentan-1-one is sourced from PubChem (CID 79643347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).