methyl N-(1-aminoethylidene)carbamate

C4H8N2O2 — CID 54362500

IUPACmethyl N-(1-aminoethylidene)carbamate
SMILESCOC(=O)N=C(C)N
InChIInChI=1S/C4H8N2O2/c1-3(5)6-4(7)8-2/h1-2H3,(H2,5,6,7)
InChIKeyUNMCKUQTVPQZFK-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.13
Rot. Bonds

About methyl N-(1-aminoethylidene)carbamate

methyl N-(1-aminoethylidene)carbamate (PubChem CID 54362500) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is methyl N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Namemethyl N-(1-aminoethylidene)carbamate
PubChem CID54362500
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Namemethyl N-(1-aminoethylidene)carbamate
SMILESCOC(=O)N=C(C)N
InChIInChI=1S/C4H8N2O2/c1-3(5)6-4(7)8-2/h1-2H3,(H2,5,6,7)
InChIKeyUNMCKUQTVPQZFK-UHFFFAOYSA-N
XLogP0.13
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.13
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 methyl N-(1-aminoethylidene)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

methyl (NE)-N-(1-aminoethylidene)carbamate
CID 13118354
methyl (NZ)-N-(1-aminoethylidene)carbamate
CID 55290877
methyl (NE)-N-(1-aminobutylidene)carbamate
CID 13135116
methyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13135117
methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate
CID 13135118
ethyl (NE)-N-(1-aminoethylidene)carbamate
CID 13135123
ethyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13420729
methyl (NE)-N-(1-aminopropylidene)carbamate
CID 13512046
butyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754853
propyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754861
N-methoxycarbonyl-2-methylpropionamidine
CID 53797302
N-ethoxycarbonylacetamidine
CID 54072165

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-aminoethylidene)carbamate?
The IUPAC name of methyl N-(1-aminoethylidene)carbamate (CID 54362500) is methyl N-(1-aminoethylidene)carbamate.
What is the SMILES notation for methyl N-(1-aminoethylidene)carbamate?
The canonical SMILES for methyl N-(1-aminoethylidene)carbamate is COC(=O)N=C(C)N.
What is the InChIKey of methyl N-(1-aminoethylidene)carbamate?
The InChIKey is UNMCKUQTVPQZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3(5)6-4(7)8-2/h1-2H3,(H2,5,6,7).
What are the key properties of methyl N-(1-aminoethylidene)carbamate?
methyl N-(1-aminoethylidene)carbamate has a molecular weight of 116.12 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-aminoethylidene)carbamate is sourced from PubChem (CID 54362500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).