ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate

C10H16O2 — CID 123876394

IUPACethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate
SMILESC=C(CC)C1CC1C(=O)OCC
InChIInChI=1S/C10H16O2/c1-4-7(3)8-6-9(8)10(11)12-5-2/h8-9H,3-6H2,1-2H3
InChIKeyOFPQXIPKPUGXGC-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds4

About ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate

ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate (PubChem CID 123876394) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate
PubChem CID123876394
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate
SMILESC=C(CC)C1CC1C(=O)OCC
InChIInChI=1S/C10H16O2/c1-4-7(3)8-6-9(8)10(11)12-5-2/h8-9H,3-6H2,1-2H3
InChIKeyOFPQXIPKPUGXGC-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Rhodinyl butyrate, (+-)-
CID 61093
Rhodinyl isovalerate
CID 25113547
Rhodinyl butyrate
CID 71587790
(4R,7R)-4-isopropenyl-7-methyloxepan-2-one
CID 443168
(4S,7R)-4-isopropenyl-7-methyloxepan-2-one
CID 443182
Ethyl 4-methylidenecyclohexane-1-carboxylate
CID 15151435
3,7-Dimethyloct-7-EN-1-YL 3-methylbutanoate
CID 16204529
Methyl 3-methylidenecyclohexane-1-carboxylate
CID 85855833
(3S,6S)-6-isopropenyl-3-methyloxepan-2-one
CID 443169
(3S,6R)-6-isopropenyl-3-methyloxepan-2-one
CID 443187
(3R,6S)-6-isopropenyl-3-methyloxepan-2-one
CID 25201860
4-Isopropenyl-7-methyloxepan-2-one
CID 4488496

Frequently Asked Questions

What is the IUPAC name of ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate (CID 123876394) is ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate is C=C(CC)C1CC1C(=O)OCC.
What is the InChIKey of ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate?
The InChIKey is OFPQXIPKPUGXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7(3)8-6-9(8)10(11)12-5-2/h8-9H,3-6H2,1-2H3.
What are the key properties of ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate?
ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-but-1-en-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 123876394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).