methyl 2-prop-2-enylcyclopropane-1-carboxylate

C8H12O2 — CID 24974091

IUPACmethyl 2-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CCC1CC1C(=O)OC
InChIInChI=1S/C8H12O2/c1-3-4-6-5-7(6)8(9)10-2/h3,6-7H,1,4-5H2,2H3
InChIKeyZATBJFYOVMQWMX-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.37
Rot. Bonds3

About methyl 2-prop-2-enylcyclopropane-1-carboxylate

methyl 2-prop-2-enylcyclopropane-1-carboxylate (PubChem CID 24974091) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 2-prop-2-enylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-prop-2-enylcyclopropane-1-carboxylate
PubChem CID24974091
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 2-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CCC1CC1C(=O)OC
InChIInChI=1S/C8H12O2/c1-3-4-6-5-7(6)8(9)10-2/h3,6-7H,1,4-5H2,2H3
InChIKeyZATBJFYOVMQWMX-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 2-prop-2-enylcyclopropane-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

Methyl 3-methylidenecyclopentane-1-carboxylate
CID 557110
2-Propyl-4-pentenoic Acid Methyl Ester
CID 21593437
Methyl cyclopent-2-ene-1-acetate
CID 89261
Methyl 2,4,5-trimethylhex-5-enoate
CID 134916431
Ethyl 3-ethenylhexanoate
CID 10080811
Methyl 3-methylhex-5-enoate
CID 12589767
Methyl 2-butyl-3-butenoate
CID 12739557
Methyl 4-methyl-3-oxohept-6-enoate
CID 14289171
Methyl 2-methylhept-6-enoate
CID 17825070
3-Ethenylhexanoic acid
CID 22447322
Sodium 2-propyl-4-pentenoate
CID 24840951
2-Allyl-hexanoic acid ethyl ester
CID 24978297

Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-2-enylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-prop-2-enylcyclopropane-1-carboxylate (CID 24974091) is methyl 2-prop-2-enylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-prop-2-enylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-prop-2-enylcyclopropane-1-carboxylate is C=CCC1CC1C(=O)OC.
What is the InChIKey of methyl 2-prop-2-enylcyclopropane-1-carboxylate?
The InChIKey is ZATBJFYOVMQWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-6-5-7(6)8(9)10-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of methyl 2-prop-2-enylcyclopropane-1-carboxylate?
methyl 2-prop-2-enylcyclopropane-1-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-2-enylcyclopropane-1-carboxylate is sourced from PubChem (CID 24974091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).