benzyl (NE)-N-benzylidenecarbamate

C15H13NO2 — CID 10681461

IUPACbenzyl (NE)-N-benzylidenecarbamate
SMILESO=C(/N=C/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H13NO2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-11H,12H2/b16-11+
InChIKeyGQGMUFZLFZSTEZ-LFIBNONCSA-N
MW239.27 g/mol
LogP3.44
Rot. Bonds3

About benzyl (NE)-N-benzylidenecarbamate

benzyl (NE)-N-benzylidenecarbamate (PubChem CID 10681461) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is benzyl (NE)-N-benzylidenecarbamate.

Molecular Properties

Compound Namebenzyl (NE)-N-benzylidenecarbamate
PubChem CID10681461
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Namebenzyl (NE)-N-benzylidenecarbamate
SMILESO=C(/N=C/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H13NO2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-11H,12H2/b16-11+
InChIKeyGQGMUFZLFZSTEZ-LFIBNONCSA-N
XLogP3.44
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl (NE)-N-benzylidenecarbamate 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

2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
Carbonisocyanatidic acid, phenylmethyl ester
CID 11745168
[(Isocyanatomethoxy)methyl]benzene
CID 59567465
((3-Isocyanatopropoxy)methyl)benzene
CID 115018505
O-benzylbenzaldoxime
CID 561973
Benzadehyde O-benzyloxime
CID 9602276
benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate
CID 24906131
benzyl (NZ)-N-[[4-(trifluoromethyl)phenyl]methylidene]carbamate
CID 135019829
benzyl (NE)-N-[[4-(trifluoromethyl)phenyl]methylidene]carbamate
CID 135075983
[(E)-benzylideneamino] (4-fluorophenyl)methyl carbonate
CID 139042553
[(E)-benzylideneamino] (2,3,4,5,6-pentafluorophenyl)methyl carbonate
CID 139042555
benzyl N-(4-phenylmethoxycarbonyliminocyclohexa-2,5-dien-1-ylidene)carbamate
CID 291490

Frequently Asked Questions

What is the IUPAC name of benzyl (NE)-N-benzylidenecarbamate?
The IUPAC name of benzyl (NE)-N-benzylidenecarbamate (CID 10681461) is benzyl (NE)-N-benzylidenecarbamate.
What is the SMILES notation for benzyl (NE)-N-benzylidenecarbamate?
The canonical SMILES for benzyl (NE)-N-benzylidenecarbamate is O=C(/N=C/c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl (NE)-N-benzylidenecarbamate?
The InChIKey is GQGMUFZLFZSTEZ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-11H,12H2/b16-11+.
What are the key properties of benzyl (NE)-N-benzylidenecarbamate?
benzyl (NE)-N-benzylidenecarbamate has a molecular weight of 239.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (NE)-N-benzylidenecarbamate is sourced from PubChem (CID 10681461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).