(Z)-pent-2-enoyl chloride

C5H7ClO — CID 123352121

IUPAC(Z)-pent-2-enoyl chloride
SMILESCC/C=C\C(=O)Cl
InChIInChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3/b4-3-
InChIKeyOTTYFDRFBJPGRW-ARJAWSKDSA-N
MW118.56 g/mol
LogP1.72
Rot. Bonds2

About (Z)-pent-2-enoyl chloride

(Z)-pent-2-enoyl chloride (PubChem CID 123352121) has the molecular formula C5H7ClO and a molecular weight of 118.56 g/mol. Its IUPAC name is (Z)-pent-2-enoyl chloride.

Molecular Properties

Compound Name(Z)-pent-2-enoyl chloride
PubChem CID123352121
Molecular FormulaC5H7ClO
Molecular Weight118.56 g/mol
Exact Mass118.02
IUPAC Name(Z)-pent-2-enoyl chloride
SMILESCC/C=C\C(=O)Cl
InChIInChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3/b4-3-
InChIKeyOTTYFDRFBJPGRW-ARJAWSKDSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trans-Crotonyl chloride
CID 643131
2-Butenoyl chloride
CID 79080
3-Pentenoyl chloride
CID 176891
(E)-hept-2-enoyl chloride
CID 5706481
3-Pentenoyl chloride, (3E)-
CID 6442180
cis-But-2-enoyl chloride
CID 12215102
Pent-2-enoyl chloride
CID 2760310
(E)-hex-2-enoyl chloride
CID 5706484
(E)-pent-2-enoyl chloride
CID 5706546
(E)-4-methylpent-2-enoyl Chloride
CID 10986269
(2E)-hepta-2,6-dienoyl chloride
CID 11147795
4-Oxopent-2-enoic chloride
CID 13296686

Frequently Asked Questions

What is the IUPAC name of (Z)-pent-2-enoyl chloride?
The IUPAC name of (Z)-pent-2-enoyl chloride (CID 123352121) is (Z)-pent-2-enoyl chloride.
What is the SMILES notation for (Z)-pent-2-enoyl chloride?
The canonical SMILES for (Z)-pent-2-enoyl chloride is CC/C=C\C(=O)Cl.
What is the InChIKey of (Z)-pent-2-enoyl chloride?
The InChIKey is OTTYFDRFBJPGRW-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3/b4-3-.
What are the key properties of (Z)-pent-2-enoyl chloride?
(Z)-pent-2-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 (Z)-pent-2-enoyl chloride is sourced from PubChem (CID 123352121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).