[(E)-prop-1-enyl] acetate

C5H8O2 — CID 637917

IUPAC[(E)-prop-1-enyl] acetate
SMILESC/C=C/OC(C)=O
InChIInChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3-4H,1-2H3/b4-3+
InChIKeyIKUJAIDSWVXUGG-ONEGZZNKSA-N
MW100.12 g/mol
LogP1.08
Rot. Bonds1

About [(E)-prop-1-enyl] acetate

[(E)-prop-1-enyl] acetate (PubChem CID 637917) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is [(E)-prop-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-prop-1-enyl] acetate
PubChem CID637917
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name[(E)-prop-1-enyl] acetate
SMILESC/C=C/OC(C)=O
InChIInChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3-4H,1-2H3/b4-3+
InChIKeyIKUJAIDSWVXUGG-ONEGZZNKSA-N
XLogP1.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [(E)-prop-1-enyl] 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

(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
CID 176895749
methoxysilane;prop-1-enyl acetate
CID 174837390
acetic acid;bis(prop-1-enyl) carbonate
CID 174787806
lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889095
2-chloroethenyl acetate;ethene
CID 175726418
ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889094
[(E)-prop-1-enyl] 2-sulfanylacetate
CID 87590908
[(Z)-prop-1-enyl] 2-sulfanylacetate
CID 173115431
bis(prop-1-enyl) pentanedioate
CID 91189308
2-acetyloxyethenesulfinic acid
CID 174787395
[(1E,3Z)-4-acetyloxy-3-methylbuta-1,3-dienyl] acetate
CID 15916858

Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enyl] acetate?
The IUPAC name of [(E)-prop-1-enyl] acetate (CID 637917) is [(E)-prop-1-enyl] acetate.
What is the SMILES notation for [(E)-prop-1-enyl] acetate?
The canonical SMILES for [(E)-prop-1-enyl] acetate is C/C=C/OC(C)=O.
What is the InChIKey of [(E)-prop-1-enyl] acetate?
The InChIKey is IKUJAIDSWVXUGG-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3-4H,1-2H3/b4-3+.
What are the key properties of [(E)-prop-1-enyl] acetate?
[(E)-prop-1-enyl] acetate has a molecular weight of 100.12 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl] acetate is sourced from PubChem (CID 637917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).