ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate

C9H15NO3 — CID 19939498

IUPACethyl (E)-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/b10-8+
InChIKeyUSNMDTSXESEBSC-CSKARUKUSA-N
MW185.22 g/mol
LogP1.99
Rot. Bonds3

About ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate

ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate (PubChem CID 19939498) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate.

Molecular Properties

Compound Nameethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate
PubChem CID19939498
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl (E)-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/b10-8+
InChIKeyUSNMDTSXESEBSC-CSKARUKUSA-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 (E)-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

Related Compounds

methyl N-(ethoxycarbonyl)isobutyrimidate
CID 85528460
Ethyl N-(ethoxycarbonyl)-2-methylpropanimidate
CID 53746597
ethyl N-(carbethoxy)cyclopropanecarboximidate
CID 54370041
[1-Ethoxy-but-ylidene]-carbamic acid ethyl ester
CID 86637971
ethyl (Z)-N-ethoxycarbonylcyclopropanecarboximidate
CID 88420591
ethyl (1Z)-N-ethoxycarbonyl-3-methylbutanimidate
CID 90425859
ethyl (1Z)-N-ethoxycarbonyl-2-methylpropanimidate
CID 90427348
ethyl N-ethoxycarbonyl-3-methyl-butanimidate
CID 123624177
ethyl (E)-1-ethoxy-2-methylpropylidenecarbamate
CID 14245746
ethyl (E)-1-ethoxypropylidenecarbamate
CID 24972010
ethyl N-ethoxycarbonylpropanimidate
CID 74377013
(1-Ethoxy-propylidene)-carbamic acid ethyl ester
CID 102567986

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate?
The IUPAC name of ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate (CID 19939498) is ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate.
What is the SMILES notation for ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate?
The canonical SMILES for ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate is CCOC(=O)/N=C(/OCC)C1CC1.
What is the InChIKey of ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate?
The InChIKey is USNMDTSXESEBSC-CSKARUKUSA-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/b10-8+.
What are the key properties of ethyl (E)-N-ethoxycarbonylcyclopropanecarboximidate?
ethyl (E)-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 (E)-N-ethoxycarbonylcyclopropanecarboximidate is sourced from PubChem (CID 19939498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).