[(E)-ethylideneamino] carbamate

C3H6N2O2 — CID 141143420

IUPAC[(E)-ethylideneamino] carbamate
SMILESC/C=N/OC(N)=O
InChIInChI=1S/C3H6N2O2/c1-2-5-7-3(4)6/h2H,1H3,(H2,4,6)/b5-2+
InChIKeyHCUKYIRGHQRKMX-GORDUTHDSA-N
MW102.09 g/mol
LogP0.09
Rot. Bonds1

About [(E)-ethylideneamino] carbamate

[(E)-ethylideneamino] carbamate (PubChem CID 141143420) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is [(E)-ethylideneamino] carbamate.

Molecular Properties

Compound Name[(E)-ethylideneamino] carbamate
PubChem CID141143420
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name[(E)-ethylideneamino] carbamate
SMILESC/C=N/OC(N)=O
InChIInChI=1S/C3H6N2O2/c1-2-5-7-3(4)6/h2H,1H3,(H2,4,6)/b5-2+
InChIKeyHCUKYIRGHQRKMX-GORDUTHDSA-N
XLogP0.09
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-ethylideneamino] carbamate 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

[(E)-ethylideneamino] 2,2-dimethylpropanoate
CID 166590786
(hexylideneamino) carbamate
CID 175176534
(ethylideneamino) hydrogen carbonate;pyridine
CID 174441096
[(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate
CID 141252091
[(E)-ethylideneamino] benzoate
CID 59571787
[(E)-1-iodoprop-1-enyl] carbamate
CID 87920039
N-[1-[(E)-ethylideneamino]oxyethenyl]formamide
CID 143561704
(ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 78146191
2-hydroperoxyiminoacetamide
CID 141143472
[(E)-ethylideneamino] N-[3-[[(E)-ethylideneamino]oxycarbonyl-sulfanylamino]phenyl]-N-sulfanylcarbamate
CID 141252071
acetaldehyde;ethyl carbamate
CID 23340289
[(E)-ethylideneamino] hydrogen sulfite
CID 130220622

Frequently Asked Questions

What is the IUPAC name of [(E)-ethylideneamino] carbamate?
The IUPAC name of [(E)-ethylideneamino] carbamate (CID 141143420) is [(E)-ethylideneamino] carbamate.
What is the SMILES notation for [(E)-ethylideneamino] carbamate?
The canonical SMILES for [(E)-ethylideneamino] carbamate is C/C=N/OC(N)=O.
What is the InChIKey of [(E)-ethylideneamino] carbamate?
The InChIKey is HCUKYIRGHQRKMX-GORDUTHDSA-N. The full InChI is InChI=1S/C3H6N2O2/c1-2-5-7-3(4)6/h2H,1H3,(H2,4,6)/b5-2+.
What are the key properties of [(E)-ethylideneamino] carbamate?
[(E)-ethylideneamino] carbamate has a molecular weight of 102.09 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-ethylideneamino] carbamate is sourced from PubChem (CID 141143420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).