ethyl (NE)-N-(aminomethylidene)carbamate

C4H8N2O2 — CID 20512476

IUPACethyl (NE)-N-(aminomethylidene)carbamate
SMILESCCOC(=O)/N=C/N
InChIInChI=1S/C4H8N2O2/c1-2-8-4(7)6-3-5/h3H,2H2,1H3,(H2,5,6,7)
InChIKeySGFZRSDQHCXTKO-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.13
Rot. Bonds1

About ethyl (NE)-N-(aminomethylidene)carbamate

ethyl (NE)-N-(aminomethylidene)carbamate (PubChem CID 20512476) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is ethyl (NE)-N-(aminomethylidene)carbamate.

Molecular Properties

Compound Nameethyl (NE)-N-(aminomethylidene)carbamate
PubChem CID20512476
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Nameethyl (NE)-N-(aminomethylidene)carbamate
SMILESCCOC(=O)/N=C/N
InChIInChI=1S/C4H8N2O2/c1-2-8-4(7)6-3-5/h3H,2H2,1H3,(H2,5,6,7)
InChIKeySGFZRSDQHCXTKO-UHFFFAOYSA-N
XLogP0.13
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of ethyl (NE)-N-(aminomethylidene)carbamate?
The IUPAC name of ethyl (NE)-N-(aminomethylidene)carbamate (CID 20512476) is ethyl (NE)-N-(aminomethylidene)carbamate.
What is the SMILES notation for ethyl (NE)-N-(aminomethylidene)carbamate?
The canonical SMILES for ethyl (NE)-N-(aminomethylidene)carbamate is CCOC(=O)/N=C/N.
What is the InChIKey of ethyl (NE)-N-(aminomethylidene)carbamate?
The InChIKey is SGFZRSDQHCXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-8-4(7)6-3-5/h3H,2H2,1H3,(H2,5,6,7).
What are the key properties of ethyl (NE)-N-(aminomethylidene)carbamate?
ethyl (NE)-N-(aminomethylidene)carbamate has a molecular weight of 116.12 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NE)-N-(aminomethylidene)carbamate is sourced from PubChem (CID 20512476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).