methyl (NE)-N-(1-aminoethylidene)carbamate

C4H8N2O2 — CID 13118354

IUPACmethyl (NE)-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 (NE)-N-(1-aminoethylidene)carbamate

methyl (NE)-N-(1-aminoethylidene)carbamate (PubChem CID 13118354) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is methyl (NE)-N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Namemethyl (NE)-N-(1-aminoethylidene)carbamate
PubChem CID13118354
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Namemethyl (NE)-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'}

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Related Compounds

methyl N-(1-aminoethylidene)carbamate
CID 54362500
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 (NE)-N-(1-aminoethylidene)carbamate?
The IUPAC name of methyl (NE)-N-(1-aminoethylidene)carbamate (CID 13118354) is methyl (NE)-N-(1-aminoethylidene)carbamate.
What is the SMILES notation for methyl (NE)-N-(1-aminoethylidene)carbamate?
The canonical SMILES for methyl (NE)-N-(1-aminoethylidene)carbamate is COC(=O)/N=C(\C)N.
What is the InChIKey of methyl (NE)-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 (NE)-N-(1-aminoethylidene)carbamate?
methyl (NE)-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 (NE)-N-(1-aminoethylidene)carbamate is sourced from PubChem (CID 13118354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).