ethyl N-ethoxycarbonylcyclopropanecarboximidate

C9H15NO3 — CID 54370041

IUPACethyl N-ethoxycarbonylcyclopropanecarboximidate
SMILESCCOC(=O)N=C(OCC)C1CC1
InChIInChI=1S/C9H15NO3/c1-3-12-8(7-5-6-7)10-9(11)13-4-2/h7H,3-6H2,1-2H3
InChIKeyUSNMDTSXESEBSC-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.99
Rot. Bonds3

About ethyl N-ethoxycarbonylcyclopropanecarboximidate

ethyl N-ethoxycarbonylcyclopropanecarboximidate (PubChem CID 54370041) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl N-ethoxycarbonylcyclopropanecarboximidate.

Molecular Properties

Compound Nameethyl N-ethoxycarbonylcyclopropanecarboximidate
PubChem CID54370041
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl N-ethoxycarbonylcyclopropanecarboximidate
SMILESCCOC(=O)N=C(OCC)C1CC1
InChIInChI=1S/C9H15NO3/c1-3-12-8(7-5-6-7)10-9(11)13-4-2/h7H,3-6H2,1-2H3
InChIKeyUSNMDTSXESEBSC-UHFFFAOYSA-N
XLogP1.99
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl N-ethoxycarbonylcyclopropanecarboximidate 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 N-ethoxycarbonylcyclopropanecarboximidate?
The IUPAC name of ethyl N-ethoxycarbonylcyclopropanecarboximidate (CID 54370041) is ethyl N-ethoxycarbonylcyclopropanecarboximidate.
What is the SMILES notation for ethyl N-ethoxycarbonylcyclopropanecarboximidate?
The canonical SMILES for ethyl N-ethoxycarbonylcyclopropanecarboximidate is CCOC(=O)N=C(OCC)C1CC1.
What is the InChIKey of ethyl N-ethoxycarbonylcyclopropanecarboximidate?
The InChIKey is USNMDTSXESEBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-12-8(7-5-6-7)10-9(11)13-4-2/h7H,3-6H2,1-2H3.
What are the key properties of ethyl N-ethoxycarbonylcyclopropanecarboximidate?
ethyl N-ethoxycarbonylcyclopropanecarboximidate has a molecular weight of 185.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethoxycarbonylcyclopropanecarboximidate is sourced from PubChem (CID 54370041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).