[(Z)-3-chloroprop-2-enyl] prop-2-enoate

C6H7ClO2 — CID 5354525

IUPAC[(Z)-3-chloroprop-2-enyl] prop-2-enoate
SMILESC=CC(=O)OC/C=C\Cl
InChIInChI=1S/C6H7ClO2/c1-2-6(8)9-5-3-4-7/h2-4H,1,5H2/b4-3-
InChIKeyLKICIQCLJNAOGC-ARJAWSKDSA-N
MW146.57 g/mol
LogP1.47
Rot. Bonds3

About [(Z)-3-chloroprop-2-enyl] prop-2-enoate

[(Z)-3-chloroprop-2-enyl] prop-2-enoate (PubChem CID 5354525) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is [(Z)-3-chloroprop-2-enyl] prop-2-enoate.

Molecular Properties

Compound Name[(Z)-3-chloroprop-2-enyl] prop-2-enoate
PubChem CID5354525
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name[(Z)-3-chloroprop-2-enyl] prop-2-enoate
SMILESC=CC(=O)OC/C=C\Cl
InChIInChI=1S/C6H7ClO2/c1-2-6(8)9-5-3-4-7/h2-4H,1,5H2/b4-3-
InChIKeyLKICIQCLJNAOGC-ARJAWSKDSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2E)-penta-2,4-dienyl] prop-2-enoate
CID 88501874
3-hydroxyprop-2-enyl prop-2-enoate;methane
CID 173438743
methane;prop-2-enyl prop-2-enoate
CID 87568259
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-enyl] prop-2-enoate
CID 76599744
but-2-enyl prop-2-enoate;ethene;prop-2-enoic acid
CID 174361149
[(2E)-octa-2,7-dienyl] prop-2-enoate
CID 12861169
2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate
CID 173020025
buta-1,3-diene;but-2-enyl prop-2-enoate;prop-2-enoic acid
CID 175280821
[(E)-4-[(E)-4-prop-2-enoyloxybut-2-enyl]sulfanylcarbothioylsulfanylbut-2-enyl] prop-2-enoate
CID 102130916
buta-2,3-dienyl prop-2-enoate
CID 91383520
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chloroprop-2-enyl] prop-2-enoate?
The IUPAC name of [(Z)-3-chloroprop-2-enyl] prop-2-enoate (CID 5354525) is [(Z)-3-chloroprop-2-enyl] prop-2-enoate.
What is the SMILES notation for [(Z)-3-chloroprop-2-enyl] prop-2-enoate?
The canonical SMILES for [(Z)-3-chloroprop-2-enyl] prop-2-enoate is C=CC(=O)OC/C=C\Cl.
What is the InChIKey of [(Z)-3-chloroprop-2-enyl] prop-2-enoate?
The InChIKey is LKICIQCLJNAOGC-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H7ClO2/c1-2-6(8)9-5-3-4-7/h2-4H,1,5H2/b4-3-.
What are the key properties of [(Z)-3-chloroprop-2-enyl] prop-2-enoate?
[(Z)-3-chloroprop-2-enyl] prop-2-enoate has a molecular weight of 146.57 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloroprop-2-enyl] prop-2-enoate is sourced from PubChem (CID 5354525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).