[(Z)-1-chloroprop-1-enyl] prop-2-enoate

C6H7ClO2 — CID 88621042

IUPAC[(Z)-1-chloroprop-1-enyl] prop-2-enoate
SMILESC=CC(=O)O/C(Cl)=C/C
InChIInChI=1S/C6H7ClO2/c1-3-5(7)9-6(8)4-2/h3-4H,2H2,1H3/b5-3+
InChIKeySBAWKGXVEGMOBS-HWKANZROSA-N
MW146.57 g/mol
LogP1.82
Rot. Bonds2

About [(Z)-1-chloroprop-1-enyl] prop-2-enoate

[(Z)-1-chloroprop-1-enyl] prop-2-enoate (PubChem CID 88621042) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is [(Z)-1-chloroprop-1-enyl] prop-2-enoate.

Molecular Properties

Compound Name[(Z)-1-chloroprop-1-enyl] prop-2-enoate
PubChem CID88621042
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name[(Z)-1-chloroprop-1-enyl] prop-2-enoate
SMILESC=CC(=O)O/C(Cl)=C/C
InChIInChI=1S/C6H7ClO2/c1-3-5(7)9-6(8)4-2/h3-4H,2H2,1H3/b5-3+
InChIKeySBAWKGXVEGMOBS-HWKANZROSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetyl prop-2-enoate;ethene
CID 157340658
1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate
CID 173302819
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate
CID 173405151
disodium;hydride;prop-2-enoyl 2-methylbut-2-enoate
CID 173200570
prop-2-enoyl 2-methyl-4-oxohexa-2,5-dienoate
CID 90905930
prop-2-enoyl 2,3-dimethylbut-2-enoate
CID 87154660
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420
[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl] prop-2-enoate
CID 139618081
chloroethene;1,1-dichloroethene;methyl prop-2-enoate
CID 122698237
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
1,2,2-trihydroxyethenyl prop-2-enoate
CID 140527484
prop-1-ene;sulfanyl prop-2-enoate
CID 159134207

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-chloroprop-1-enyl] prop-2-enoate?
The IUPAC name of [(Z)-1-chloroprop-1-enyl] prop-2-enoate (CID 88621042) is [(Z)-1-chloroprop-1-enyl] prop-2-enoate.
What is the SMILES notation for [(Z)-1-chloroprop-1-enyl] prop-2-enoate?
The canonical SMILES for [(Z)-1-chloroprop-1-enyl] prop-2-enoate is C=CC(=O)O/C(Cl)=C/C.
What is the InChIKey of [(Z)-1-chloroprop-1-enyl] prop-2-enoate?
The InChIKey is SBAWKGXVEGMOBS-HWKANZROSA-N. The full InChI is InChI=1S/C6H7ClO2/c1-3-5(7)9-6(8)4-2/h3-4H,2H2,1H3/b5-3+.
What are the key properties of [(Z)-1-chloroprop-1-enyl] prop-2-enoate?
[(Z)-1-chloroprop-1-enyl] prop-2-enoate has a molecular weight of 146.57 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-chloroprop-1-enyl] prop-2-enoate is sourced from PubChem (CID 88621042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).