(Z)-5-chloro-4-methoxypent-3-en-2-one

C6H9ClO2 — CID 55298173

IUPAC(Z)-5-chloro-4-methoxypent-3-en-2-one
SMILESCO/C(=C\C(C)=O)CCl
InChIInChI=1S/C6H9ClO2/c1-5(8)3-6(4-7)9-2/h3H,4H2,1-2H3/b6-3-
InChIKeyAXEKIRNBXGRRIF-UTCJRWHESA-N
MW148.59 g/mol
LogP1.34
Rot. Bonds3

About (Z)-5-chloro-4-methoxypent-3-en-2-one

(Z)-5-chloro-4-methoxypent-3-en-2-one (PubChem CID 55298173) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is (Z)-5-chloro-4-methoxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-5-chloro-4-methoxypent-3-en-2-one
PubChem CID55298173
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name(Z)-5-chloro-4-methoxypent-3-en-2-one
SMILESCO/C(=C\C(C)=O)CCl
InChIInChI=1S/C6H9ClO2/c1-5(8)3-6(4-7)9-2/h3H,4H2,1-2H3/b6-3-
InChIKeyAXEKIRNBXGRRIF-UTCJRWHESA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate
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methyl [(E)-4-oxopent-2-en-2-yl] carbonate
CID 10351945
4-methoxyhex-4-en-2-one
CID 90261646
methyl (E)-3-[(2-chloroacetyl)amino]but-2-enoate
CID 19166642
(E)-5-methoxy-4-methylpent-3-en-2-one
CID 24973969
4-(3-methoxypropylamino)pent-3-en-2-one
CID 139163309
4-chloro-3-trimethylsilyloxybut-2-enoic acid
CID 54248464
dimethyl 2-(1-chloropropan-2-ylidene)propanedioate
CID 14714590
acetic acid;methyl 2-methyl-4-oxopent-2-enoate
CID 174282398
3-methoxypent-2-enedioic acid
CID 86011063
4-methoxyhexa-3,5-dien-2-one
CID 71435103

Frequently Asked Questions

What is the IUPAC name of (Z)-5-chloro-4-methoxypent-3-en-2-one?
The IUPAC name of (Z)-5-chloro-4-methoxypent-3-en-2-one (CID 55298173) is (Z)-5-chloro-4-methoxypent-3-en-2-one.
What is the SMILES notation for (Z)-5-chloro-4-methoxypent-3-en-2-one?
The canonical SMILES for (Z)-5-chloro-4-methoxypent-3-en-2-one is CO/C(=C\C(C)=O)CCl.
What is the InChIKey of (Z)-5-chloro-4-methoxypent-3-en-2-one?
The InChIKey is AXEKIRNBXGRRIF-UTCJRWHESA-N. The full InChI is InChI=1S/C6H9ClO2/c1-5(8)3-6(4-7)9-2/h3H,4H2,1-2H3/b6-3-.
What are the key properties of (Z)-5-chloro-4-methoxypent-3-en-2-one?
(Z)-5-chloro-4-methoxypent-3-en-2-one has a molecular weight of 148.59 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-chloro-4-methoxypent-3-en-2-one is sourced from PubChem (CID 55298173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).