methyl N-methyl-2-phenylcyclopropane-1-carboximidate

C12H15NO — CID 90482560

IUPACmethyl N-methyl-2-phenylcyclopropane-1-carboximidate
SMILESC/N=C(\OC)C1CC1c1ccccc1
InChIInChI=1S/C12H15NO/c1-13-12(14-2)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/b13-12-
InChIKeyQJLJNPAUMZDPDX-SEYXRHQNSA-N
MW189.26 g/mol
LogP2.46
Rot. Bonds2

About methyl N-methyl-2-phenylcyclopropane-1-carboximidate

methyl N-methyl-2-phenylcyclopropane-1-carboximidate (PubChem CID 90482560) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is methyl N-methyl-2-phenylcyclopropane-1-carboximidate.

Molecular Properties

Compound Namemethyl N-methyl-2-phenylcyclopropane-1-carboximidate
PubChem CID90482560
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Namemethyl N-methyl-2-phenylcyclopropane-1-carboximidate
SMILESC/N=C(\OC)C1CC1c1ccccc1
InChIInChI=1S/C12H15NO/c1-13-12(14-2)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/b13-12-
InChIKeyQJLJNPAUMZDPDX-SEYXRHQNSA-N
XLogP2.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl N-methyl-2-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

trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2,2-dimethoxy-1-(2-phenylcyclopropyl)ethanone
CID 116517110
methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate
CID 20832386
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
[(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene
CID 101094176
2-phenylcyclopropane-1-carbothioamide
CID 86086576
trimethyl-[1-(2-phenylcyclopropyl)ethenoxy]silane
CID 11139012
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-2-phenylcyclopropane-1-carboximidate?
The IUPAC name of methyl N-methyl-2-phenylcyclopropane-1-carboximidate (CID 90482560) is methyl N-methyl-2-phenylcyclopropane-1-carboximidate.
What is the SMILES notation for methyl N-methyl-2-phenylcyclopropane-1-carboximidate?
The canonical SMILES for methyl N-methyl-2-phenylcyclopropane-1-carboximidate is C/N=C(\OC)C1CC1c1ccccc1.
What is the InChIKey of methyl N-methyl-2-phenylcyclopropane-1-carboximidate?
The InChIKey is QJLJNPAUMZDPDX-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H15NO/c1-13-12(14-2)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/b13-12-.
What are the key properties of methyl N-methyl-2-phenylcyclopropane-1-carboximidate?
methyl N-methyl-2-phenylcyclopropane-1-carboximidate has a molecular weight of 189.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-2-phenylcyclopropane-1-carboximidate is sourced from PubChem (CID 90482560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).