(4E)-4-but-3-enylidene-1,3-dioxolan-2-one

C7H8O3 — CID 100927908

IUPAC(4E)-4-but-3-enylidene-1,3-dioxolan-2-one
SMILESC=CC/C=C1\COC(=O)O1
InChIInChI=1S/C7H8O3/c1-2-3-4-6-5-9-7(8)10-6/h2,4H,1,3,5H2/b6-4+
InChIKeyMSNITXAZJIIDGQ-GQCTYLIASA-N
MW140.14 g/mol
LogP1.61
Rot. Bonds2

About (4E)-4-but-3-enylidene-1,3-dioxolan-2-one

(4E)-4-but-3-enylidene-1,3-dioxolan-2-one (PubChem CID 100927908) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (4E)-4-but-3-enylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4E)-4-but-3-enylidene-1,3-dioxolan-2-one
PubChem CID100927908
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(4E)-4-but-3-enylidene-1,3-dioxolan-2-one
SMILESC=CC/C=C1\COC(=O)O1
InChIInChI=1S/C7H8O3/c1-2-3-4-6-5-9-7(8)10-6/h2,4H,1,3,5H2/b6-4+
InChIKeyMSNITXAZJIIDGQ-GQCTYLIASA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E)-4-but-3-enylidene-1,3-dioxolan-2-one 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

4-(3-Fluoropropylidene)-1,3-dioxolan-2-one
CID 173583478
4-Ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one
CID 91192097
(E)-2-methyl-2-(prop-1-en-1-yl)-1,3-dioxolane
CID 10855469
(4E)-4-pent-4-en-2-ylidene-1,3-dioxolan-2-one
CID 11159430
4-[(1E)-buta-1,3-dienyl]-1,3-dioxolan-2-one
CID 15210772
4-[(E)-but-1-enyl]-1,3-dioxolan-2-one
CID 23361409
4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one
CID 23361415
4-But-1-enyl-1,3-dioxolan-2-one
CID 54143816
4-Prop-1-enyl-1,3-dioxolan-2-one
CID 54292852
[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
CID 57179833
3a,6-Dihydro-1,3-benzodioxole
CID 57285343
4-[(2-Oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 59083879

Frequently Asked Questions

What is the IUPAC name of (4E)-4-but-3-enylidene-1,3-dioxolan-2-one?
The IUPAC name of (4E)-4-but-3-enylidene-1,3-dioxolan-2-one (CID 100927908) is (4E)-4-but-3-enylidene-1,3-dioxolan-2-one.
What is the SMILES notation for (4E)-4-but-3-enylidene-1,3-dioxolan-2-one?
The canonical SMILES for (4E)-4-but-3-enylidene-1,3-dioxolan-2-one is C=CC/C=C1\COC(=O)O1.
What is the InChIKey of (4E)-4-but-3-enylidene-1,3-dioxolan-2-one?
The InChIKey is MSNITXAZJIIDGQ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H8O3/c1-2-3-4-6-5-9-7(8)10-6/h2,4H,1,3,5H2/b6-4+.
What are the key properties of (4E)-4-but-3-enylidene-1,3-dioxolan-2-one?
(4E)-4-but-3-enylidene-1,3-dioxolan-2-one has a molecular weight of 140.14 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-but-3-enylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 100927908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).