ethyl N-[(E)-benzylideneamino]carbamate

C10H12N2O2 — CID 5368159

IUPACethyl N-[(E)-benzylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C10H12N2O2/c1-2-14-10(13)12-11-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,13)/b11-8+
InChIKeyFHPDVJQZJBNJCK-DHZHZOJOSA-N
MW192.22 g/mol
LogP1.77
Rot. Bonds3

About ethyl N-[(E)-benzylideneamino]carbamate

ethyl N-[(E)-benzylideneamino]carbamate (PubChem CID 5368159) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is ethyl N-[(E)-benzylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-benzylideneamino]carbamate
PubChem CID5368159
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nameethyl N-[(E)-benzylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C10H12N2O2/c1-2-14-10(13)12-11-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,13)/b11-8+
InChIKeyFHPDVJQZJBNJCK-DHZHZOJOSA-N
XLogP1.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-benzylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-benzylideneamino]carbamate (CID 5368159) is ethyl N-[(E)-benzylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-benzylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-benzylideneamino]carbamate is CCOC(=O)N/N=C/c1ccccc1.
What is the InChIKey of ethyl N-[(E)-benzylideneamino]carbamate?
The InChIKey is FHPDVJQZJBNJCK-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-14-10(13)12-11-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,13)/b11-8+.
What are the key properties of ethyl N-[(E)-benzylideneamino]carbamate?
ethyl N-[(E)-benzylideneamino]carbamate has a molecular weight of 192.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-benzylideneamino]carbamate is sourced from PubChem (CID 5368159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).