2-chloroethyl 3-cyclopropylprop-2-enoate

C8H11ClO2 — CID 70476165

IUPAC2-chloroethyl 3-cyclopropylprop-2-enoate
SMILESO=C(C=CC1CC1)OCCCl
InChIInChI=1S/C8H11ClO2/c9-5-6-11-8(10)4-3-7-1-2-7/h3-4,7H,1-2,5-6H2
InChIKeyFWLNHMVXOUMHBW-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.73
Rot. Bonds4

About 2-chloroethyl 3-cyclopropylprop-2-enoate

2-chloroethyl 3-cyclopropylprop-2-enoate (PubChem CID 70476165) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-chloroethyl 3-cyclopropylprop-2-enoate.

Molecular Properties

Compound Name2-chloroethyl 3-cyclopropylprop-2-enoate
PubChem CID70476165
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Name2-chloroethyl 3-cyclopropylprop-2-enoate
SMILESO=C(C=CC1CC1)OCCCl
InChIInChI=1S/C8H11ClO2/c9-5-6-11-8(10)4-3-7-1-2-7/h3-4,7H,1-2,5-6H2
InChIKeyFWLNHMVXOUMHBW-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 3-cyclopropylprop-2-enoate?
The IUPAC name of 2-chloroethyl 3-cyclopropylprop-2-enoate (CID 70476165) is 2-chloroethyl 3-cyclopropylprop-2-enoate.
What is the SMILES notation for 2-chloroethyl 3-cyclopropylprop-2-enoate?
The canonical SMILES for 2-chloroethyl 3-cyclopropylprop-2-enoate is O=C(C=CC1CC1)OCCCl.
What is the InChIKey of 2-chloroethyl 3-cyclopropylprop-2-enoate?
The InChIKey is FWLNHMVXOUMHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2/c9-5-6-11-8(10)4-3-7-1-2-7/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-chloroethyl 3-cyclopropylprop-2-enoate?
2-chloroethyl 3-cyclopropylprop-2-enoate has a molecular weight of 174.63 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 3-cyclopropylprop-2-enoate is sourced from PubChem (CID 70476165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).