ethyl 2-cyclopropylcyclopropane-1-carboxylate

C9H14O2 — CID 15011072

IUPACethyl 2-cyclopropylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C1CC1
InChIInChI=1S/C9H14O2/c1-2-11-9(10)8-5-7(8)6-3-4-6/h6-8H,2-5H2,1H3
InChIKeyPSFHNXQFRCLLFX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.60
Rot. Bonds3

About ethyl 2-cyclopropylcyclopropane-1-carboxylate

ethyl 2-cyclopropylcyclopropane-1-carboxylate (PubChem CID 15011072) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethyl 2-cyclopropylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropylcyclopropane-1-carboxylate
PubChem CID15011072
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethyl 2-cyclopropylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C1CC1
InChIInChI=1S/C9H14O2/c1-2-11-9(10)8-5-7(8)6-3-4-6/h6-8H,2-5H2,1H3
InChIKeyPSFHNXQFRCLLFX-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-cyclopropylcyclopropane-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-cyclopropylcyclopropane-1-carboxylate (CID 15011072) is ethyl 2-cyclopropylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-cyclopropylcyclopropane-1-carboxylate is CCOC(=O)C1CC1C1CC1.
What is the InChIKey of ethyl 2-cyclopropylcyclopropane-1-carboxylate?
The InChIKey is PSFHNXQFRCLLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-9(10)8-5-7(8)6-3-4-6/h6-8H,2-5H2,1H3.
What are the key properties of ethyl 2-cyclopropylcyclopropane-1-carboxylate?
ethyl 2-cyclopropylcyclopropane-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropylcyclopropane-1-carboxylate is sourced from PubChem (CID 15011072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).