(3-ethynylcyclopent-2-en-1-yl) acetate

C9H10O2 — CID 134898016

IUPAC(3-ethynylcyclopent-2-en-1-yl) acetate
SMILESC#CC1=CC(OC(C)=O)CC1
InChIInChI=1S/C9H10O2/c1-3-8-4-5-9(6-8)11-7(2)10/h1,6,9H,4-5H2,2H3
InChIKeyMXLDFGGEICSZEF-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.27
Rot. Bonds1

About (3-ethynylcyclopent-2-en-1-yl) acetate

(3-ethynylcyclopent-2-en-1-yl) acetate (PubChem CID 134898016) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (3-ethynylcyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(3-ethynylcyclopent-2-en-1-yl) acetate
PubChem CID134898016
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(3-ethynylcyclopent-2-en-1-yl) acetate
SMILESC#CC1=CC(OC(C)=O)CC1
InChIInChI=1S/C9H10O2/c1-3-8-4-5-9(6-8)11-7(2)10/h1,6,9H,4-5H2,2H3
InChIKeyMXLDFGGEICSZEF-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-ethynylcyclopent-2-en-1-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclohexen-1-ol, 3-methyl-, acetate
CID 3018590
1-Cyclopentene-1-methanol, acetate
CID 6452882
[(1R)-2-methylcyclopent-2-en-1-yl] acetate
CID 11051736
2-Methyl-cyclohex-2-en-1-yl acetate
CID 12635158
2(5H)-Furanone, 4-methyl-5-(2-methyl-2-propenyl)-
CID 566082
[(1S)-2-methylcyclohex-2-en-1-yl] acetate
CID 5325693
1-(Cyclopenten-1-yl)ethyl acetate
CID 12815447
(2-Methylcyclopent-2-en-1-yl) acetate
CID 19821096
[(1S)-2-methylcyclopent-2-en-1-yl] acetate
CID 22843634
4-Methylhex-4-en-1-yn-3-yl acetate
CID 91605561
[(2E,4R)-3-methylnona-2,8-dien-4-yl] acetate
CID 101987227
1-Methyl-3-prop-2-ynoxycyclopentene
CID 102025645

Frequently Asked Questions

What is the IUPAC name of (3-ethynylcyclopent-2-en-1-yl) acetate?
The IUPAC name of (3-ethynylcyclopent-2-en-1-yl) acetate (CID 134898016) is (3-ethynylcyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (3-ethynylcyclopent-2-en-1-yl) acetate?
The canonical SMILES for (3-ethynylcyclopent-2-en-1-yl) acetate is C#CC1=CC(OC(C)=O)CC1.
What is the InChIKey of (3-ethynylcyclopent-2-en-1-yl) acetate?
The InChIKey is MXLDFGGEICSZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-8-4-5-9(6-8)11-7(2)10/h1,6,9H,4-5H2,2H3.
What are the key properties of (3-ethynylcyclopent-2-en-1-yl) acetate?
(3-ethynylcyclopent-2-en-1-yl) acetate has a molecular weight of 150.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethynylcyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 134898016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).