ethyl 1-phenylcyclopropane-1-carboximidate

C12H15NO — CID 63079702

IUPACethyl 1-phenylcyclopropane-1-carboximidate
SMILES[H]/N=C(\OCC)C1(c2ccccc2)CC1
InChIInChI=1S/C12H15NO/c1-2-14-11(13)12(8-9-12)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3/b13-11-
InChIKeyLROGIWZOINAAOD-QBFSEMIESA-N
MW189.26 g/mol
LogP2.73
Rot. Bonds3

About ethyl 1-phenylcyclopropane-1-carboximidate

ethyl 1-phenylcyclopropane-1-carboximidate (PubChem CID 63079702) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is ethyl 1-phenylcyclopropane-1-carboximidate.

Molecular Properties

Compound Nameethyl 1-phenylcyclopropane-1-carboximidate
PubChem CID63079702
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Nameethyl 1-phenylcyclopropane-1-carboximidate
SMILES[H]/N=C(\OCC)C1(c2ccccc2)CC1
InChIInChI=1S/C12H15NO/c1-2-14-11(13)12(8-9-12)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3/b13-11-
InChIKeyLROGIWZOINAAOD-QBFSEMIESA-N
XLogP2.73
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 1-phenylcyclopropane-1-carboximidate 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 1-phenylcyclobutane-1-carboximidate
CID 63079703
ethyl 4-oxo-4-(1-phenylcyclopropyl)butanoate
CID 66323170
1-(1-phenylcyclobutyl)ethanimine
CID 58488751
1-phenylcyclobutane-1-carboximidamide
CID 46941849
N,N-diethyl-1-phenylcyclobutane-1-carboximidamide
CID 63179800
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
N'-ethyl-1-phenylcyclopropane-1-carboximidamide
CID 63181213
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
N,N-dimethyl-1-phenylcyclopentane-1-carboximidamide
CID 63179364
ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate chloride
CID 21066

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenylcyclopropane-1-carboximidate?
The IUPAC name of ethyl 1-phenylcyclopropane-1-carboximidate (CID 63079702) is ethyl 1-phenylcyclopropane-1-carboximidate.
What is the SMILES notation for ethyl 1-phenylcyclopropane-1-carboximidate?
The canonical SMILES for ethyl 1-phenylcyclopropane-1-carboximidate is [H]/N=C(\OCC)C1(c2ccccc2)CC1.
What is the InChIKey of ethyl 1-phenylcyclopropane-1-carboximidate?
The InChIKey is LROGIWZOINAAOD-QBFSEMIESA-N. The full InChI is InChI=1S/C12H15NO/c1-2-14-11(13)12(8-9-12)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3/b13-11-.
What are the key properties of ethyl 1-phenylcyclopropane-1-carboximidate?
ethyl 1-phenylcyclopropane-1-carboximidate has a molecular weight of 189.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenylcyclopropane-1-carboximidate is sourced from PubChem (CID 63079702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).