[(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate

C7H9ClO2 — CID 5353157

IUPAC[(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate
SMILESO=C(OC/C=C/Cl)C1CC1
InChIInChI=1S/C7H9ClO2/c8-4-1-5-10-7(9)6-2-3-6/h1,4,6H,2-3,5H2/b4-1+
InChIKeyQAJSCZWJFSRULT-DAFODLJHSA-N
MW160.60 g/mol
LogP1.69
Rot. Bonds3

About [(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate

[(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate (PubChem CID 5353157) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is [(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate
PubChem CID5353157
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Name[(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate
SMILESO=C(OC/C=C/Cl)C1CC1
InChIInChI=1S/C7H9ClO2/c8-4-1-5-10-7(9)6-2-3-6/h1,4,6H,2-3,5H2/b4-1+
InChIKeyQAJSCZWJFSRULT-DAFODLJHSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate?
The IUPAC name of [(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate (CID 5353157) is [(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate.
What is the SMILES notation for [(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate?
The canonical SMILES for [(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate is O=C(OC/C=C/Cl)C1CC1.
What is the InChIKey of [(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate?
The InChIKey is QAJSCZWJFSRULT-DAFODLJHSA-N. The full InChI is InChI=1S/C7H9ClO2/c8-4-1-5-10-7(9)6-2-3-6/h1,4,6H,2-3,5H2/b4-1+.
What are the key properties of [(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate?
[(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate has a molecular weight of 160.60 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-chloroprop-2-enyl] cyclopropanecarboxylate is sourced from PubChem (CID 5353157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).