ethyl 2-chloro-3-cyclopropylprop-2-enoate

C8H11ClO2 — CID 88693658

IUPACethyl 2-chloro-3-cyclopropylprop-2-enoate
SMILESCCOC(=O)C(Cl)=CC1CC1
InChIInChI=1S/C8H11ClO2/c1-2-11-8(10)7(9)5-6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyDPVKJHHWWHDJNB-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.08
Rot. Bonds3

About ethyl 2-chloro-3-cyclopropylprop-2-enoate

ethyl 2-chloro-3-cyclopropylprop-2-enoate (PubChem CID 88693658) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is ethyl 2-chloro-3-cyclopropylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-chloro-3-cyclopropylprop-2-enoate
PubChem CID88693658
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Nameethyl 2-chloro-3-cyclopropylprop-2-enoate
SMILESCCOC(=O)C(Cl)=CC1CC1
InChIInChI=1S/C8H11ClO2/c1-2-11-8(10)7(9)5-6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyDPVKJHHWWHDJNB-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-3-cyclopropylprop-2-enoate?
The IUPAC name of ethyl 2-chloro-3-cyclopropylprop-2-enoate (CID 88693658) is ethyl 2-chloro-3-cyclopropylprop-2-enoate.
What is the SMILES notation for ethyl 2-chloro-3-cyclopropylprop-2-enoate?
The canonical SMILES for ethyl 2-chloro-3-cyclopropylprop-2-enoate is CCOC(=O)C(Cl)=CC1CC1.
What is the InChIKey of ethyl 2-chloro-3-cyclopropylprop-2-enoate?
The InChIKey is DPVKJHHWWHDJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2/c1-2-11-8(10)7(9)5-6-3-4-6/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 2-chloro-3-cyclopropylprop-2-enoate?
ethyl 2-chloro-3-cyclopropylprop-2-enoate has a molecular weight of 174.63 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-3-cyclopropylprop-2-enoate is sourced from PubChem (CID 88693658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).