4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one

C9H11ClO2 — CID 102232899

IUPAC4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one
SMILESCCC/C=C/C1=C(Cl)C(=O)OC1
InChIInChI=1S/C9H11ClO2/c1-2-3-4-5-7-6-12-9(11)8(7)10/h4-5H,2-3,6H2,1H3/b5-4+
InChIKeySAEIUCZYRUYOQB-SNAWJCMRSA-N
MW186.64 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one

4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one (PubChem CID 102232899) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one
PubChem CID102232899
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one
SMILESCCC/C=C/C1=C(Cl)C(=O)OC1
InChIInChI=1S/C9H11ClO2/c1-2-3-4-5-7-6-12-9(11)8(7)10/h4-5H,2-3,6H2,1H3/b5-4+
InChIKeySAEIUCZYRUYOQB-SNAWJCMRSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-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

3-[(1Z)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
CID 10953862
3-[(1E)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
CID 10986587
Pestalafuranone F
CID 139583515
Pezizolide G
CID 139584610
(E)-4-(propen-1-yl)-5,6-dihydro-2H-pyran-2-one
CID 146684245
3-but-2-enyl-4-prop-1-enyl-2H-furan-5-one
CID 162971923
3-[(E)-3,3-dimethylbut-1-enyl]-2H-furan-5-one
CID 101778707
3-Octa-1',3'-dienyl-4-methylfuran-2(5h)-one
CID 86301942
3-[(2E,4E)-hexa-2,4-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
CID 101414654
4-(2-(Methoxycarbonyl)-ethenyl)-2(5h)-furanone
CID 71335468
2-Chloro-4-methylmuconolactone
CID 129717770
4-Hexa-2,4-dienyl-3-propenyl-5h-furan-2-one
CID 129831586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one?
The IUPAC name of 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one (CID 102232899) is 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one.
What is the SMILES notation for 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one?
The canonical SMILES for 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one is CCC/C=C/C1=C(Cl)C(=O)OC1.
What is the InChIKey of 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one?
The InChIKey is SAEIUCZYRUYOQB-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-2-3-4-5-7-6-12-9(11)8(7)10/h4-5H,2-3,6H2,1H3/b5-4+.
What are the key properties of 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one?
4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one has a molecular weight of 186.64 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(E)-pent-1-enyl]-2H-furan-5-one is sourced from PubChem (CID 102232899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).