ethyl (NZ)-N-ethoxycarbonyliminocarbamate

C6H10N2O4 — CID 5354216

IUPACethyl (NZ)-N-ethoxycarbonyliminocarbamate
SMILESCCOC(=O)/N=N\C(=O)OCC
InChIInChI=1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3/b8-7-
InChIKeyFAMRKDQNMBBFBR-FPLPWBNLSA-N
MW174.16 g/mol
LogP1.75
Rot. Bonds2

About ethyl (NZ)-N-ethoxycarbonyliminocarbamate

ethyl (NZ)-N-ethoxycarbonyliminocarbamate (PubChem CID 5354216) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is ethyl (NZ)-N-ethoxycarbonyliminocarbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-ethoxycarbonyliminocarbamate
PubChem CID5354216
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Nameethyl (NZ)-N-ethoxycarbonyliminocarbamate
SMILESCCOC(=O)/N=N\C(=O)OCC
InChIInChI=1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3/b8-7-
InChIKeyFAMRKDQNMBBFBR-FPLPWBNLSA-N
XLogP1.75
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Diethyl azodicarboxylate
CID 5462977
Diisopropyl azodicarboxylate
CID 5363146
ethyl N-ethoxycarbonyliminocarbamate
CID 220568
Diad
CID 75555
1-Diazene-1,2-dicarboxylic acid, 1,2-bis(1-methylethyl) ester, (1Z)-
CID 56776520
Ethyl azidoformate
CID 11819065
Azido(propoxy)methanone
CID 12202785
Butyl azidoformate
CID 12202786
methyl (NE)-N-ethoxycarbonyliminocarbamate
CID 13265970
Diethyldiazodicarboxylate
CID 14357405
2-methylpropyl N-diazocarbamate
CID 14709952
Bis(2-methoxyethyl) diazene-1,2-dicarboxylate
CID 22836032

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-ethoxycarbonyliminocarbamate?
The IUPAC name of ethyl (NZ)-N-ethoxycarbonyliminocarbamate (CID 5354216) is ethyl (NZ)-N-ethoxycarbonyliminocarbamate.
What is the SMILES notation for ethyl (NZ)-N-ethoxycarbonyliminocarbamate?
The canonical SMILES for ethyl (NZ)-N-ethoxycarbonyliminocarbamate is CCOC(=O)/N=N\C(=O)OCC.
What is the InChIKey of ethyl (NZ)-N-ethoxycarbonyliminocarbamate?
The InChIKey is FAMRKDQNMBBFBR-FPLPWBNLSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3/b8-7-.
What are the key properties of ethyl (NZ)-N-ethoxycarbonyliminocarbamate?
ethyl (NZ)-N-ethoxycarbonyliminocarbamate has a molecular weight of 174.16 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-ethoxycarbonyliminocarbamate is sourced from PubChem (CID 5354216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).