(E)-pent-3-enoyl chloride

C5H7ClO — CID 6442180

IUPAC(E)-pent-3-enoyl chloride
SMILESC/C=C/CC(=O)Cl
InChIInChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h2-3H,4H2,1H3/b3-2+
InChIKeyOFTVOOGSAIOBAR-NSCUHMNNSA-N
MW118.56 g/mol
LogP1.72
Rot. Bonds2

About (E)-pent-3-enoyl chloride

(E)-pent-3-enoyl chloride (PubChem CID 6442180) has the molecular formula C5H7ClO and a molecular weight of 118.56 g/mol. Its IUPAC name is (E)-pent-3-enoyl chloride.

Molecular Properties

Compound Name(E)-pent-3-enoyl chloride
PubChem CID6442180
Molecular FormulaC5H7ClO
Molecular Weight118.56 g/mol
Exact Mass118.02
IUPAC Name(E)-pent-3-enoyl chloride
SMILESC/C=C/CC(=O)Cl
InChIInChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h2-3H,4H2,1H3/b3-2+
InChIKeyOFTVOOGSAIOBAR-NSCUHMNNSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.56
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-chlorobut-3-enoyl chloride
CID 87548967
chloro pent-3-enoate
CID 174877154
5-bromopent-3-enoyl chloride
CID 151384213
(5Z)-hepta-1,5-dien-3-one
CID 13310111
2-ethylidenehex-4-enoic acid
CID 154267649
non-3-enoyl chloride
CID 71403525
buta-1,3-diene;(E)-pent-3-enoic acid
CID 140509123
(E)-non-2-en-5-one
CID 15142787
4-isocyanatobut-3-enoyl chloride
CID 173263420
2-methylhexa-1,4-dien-1-one
CID 91379778
(E)-N,N-dimethyl-4-oxooct-6-enamide
CID 102084043
(Z)-N-methoxy-N-methylpent-3-enamide
CID 143446691

Frequently Asked Questions

What is the IUPAC name of (E)-pent-3-enoyl chloride?
The IUPAC name of (E)-pent-3-enoyl chloride (CID 6442180) is (E)-pent-3-enoyl chloride.
What is the SMILES notation for (E)-pent-3-enoyl chloride?
The canonical SMILES for (E)-pent-3-enoyl chloride is C/C=C/CC(=O)Cl.
What is the InChIKey of (E)-pent-3-enoyl chloride?
The InChIKey is OFTVOOGSAIOBAR-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h2-3H,4H2,1H3/b3-2+.
What are the key properties of (E)-pent-3-enoyl chloride?
(E)-pent-3-enoyl chloride has a molecular weight of 118.56 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-3-enoyl chloride is sourced from PubChem (CID 6442180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).