ethyl 3-cyclopropylprop-2-enoate

C8H12O2 — CID 53401852

IUPACethyl 3-cyclopropylprop-2-enoate
SMILESCCOC(=O)C=CC1CC1
InChIInChI=1S/C8H12O2/c1-2-10-8(9)6-5-7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyHXBCPBSHJYHXQV-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds3

About ethyl 3-cyclopropylprop-2-enoate

ethyl 3-cyclopropylprop-2-enoate (PubChem CID 53401852) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is ethyl 3-cyclopropylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-cyclopropylprop-2-enoate
PubChem CID53401852
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nameethyl 3-cyclopropylprop-2-enoate
SMILESCCOC(=O)C=CC1CC1
InChIInChI=1S/C8H12O2/c1-2-10-8(9)6-5-7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyHXBCPBSHJYHXQV-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 3-cyclopropylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropylprop-2-enoate?
The IUPAC name of ethyl 3-cyclopropylprop-2-enoate (CID 53401852) is ethyl 3-cyclopropylprop-2-enoate.
What is the SMILES notation for ethyl 3-cyclopropylprop-2-enoate?
The canonical SMILES for ethyl 3-cyclopropylprop-2-enoate is CCOC(=O)C=CC1CC1.
What is the InChIKey of ethyl 3-cyclopropylprop-2-enoate?
The InChIKey is HXBCPBSHJYHXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-10-8(9)6-5-7-3-4-7/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 3-cyclopropylprop-2-enoate?
ethyl 3-cyclopropylprop-2-enoate has a molecular weight of 140.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropylprop-2-enoate is sourced from PubChem (CID 53401852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).