ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate

C12H18O2 — CID 67102350

IUPACethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1CC12CC1CCCC12
InChIInChI=1S/C12H18O2/c1-2-14-11(13)10-7-12(10)6-8-4-3-5-9(8)12/h8-10H,2-7H2,1H3
InChIKeyMIUJWVSNPUNHDL-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.38
Rot. Bonds2

About ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate

ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate (PubChem CID 67102350) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate
PubChem CID67102350
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nameethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)C1CC12CC1CCCC12
InChIInChI=1S/C12H18O2/c1-2-14-11(13)10-7-12(10)6-8-4-3-5-9(8)12/h8-10H,2-7H2,1H3
InChIKeyMIUJWVSNPUNHDL-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-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

ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate
CID 155904778
ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
CID 129386310
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate
CID 166452993
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate
CID 118383562
ethyl 2-chloro-2-formylcyclopropane-1-carboxylate
CID 130035467
ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 73192843
cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride
CID 118383556

Frequently Asked Questions

What is the IUPAC name of ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate (CID 67102350) is ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate is CCOC(=O)C1CC12CC1CCCC12.
What is the InChIKey of ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate?
The InChIKey is MIUJWVSNPUNHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-14-11(13)10-7-12(10)6-8-4-3-5-9(8)12/h8-10H,2-7H2,1H3.
What are the key properties of ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate?
ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate has a molecular weight of 194.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 67102350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).