ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate

C6H12N4O4 — CID 137234542

IUPACethyl N-[(ethoxycarbonylamino)diazenyl]carbamate
SMILESCCOC(=O)NN=NNC(=O)OCC
InChIInChI=1S/C6H12N4O4/c1-3-13-5(11)7-9-10-8-6(12)14-4-2/h3-4H2,1-2H3,(H,7,10,11)(H,8,9,12)
InChIKeyRWGTZMRRJYJMNP-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.76
Rot. Bonds4

About ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate

ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate (PubChem CID 137234542) has the molecular formula C6H12N4O4 and a molecular weight of 204.19 g/mol. Its IUPAC name is ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(ethoxycarbonylamino)diazenyl]carbamate
PubChem CID137234542
Molecular FormulaC6H12N4O4
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Nameethyl N-[(ethoxycarbonylamino)diazenyl]carbamate
SMILESCCOC(=O)NN=NNC(=O)OCC
InChIInChI=1S/C6H12N4O4/c1-3-13-5(11)7-9-10-8-6(12)14-4-2/h3-4H2,1-2H3,(H,7,10,11)(H,8,9,12)
InChIKeyRWGTZMRRJYJMNP-UHFFFAOYSA-N
XLogP0.76
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-nitrosocarbamate
CID 19911416
ethyl N-(dimethoxymethylideneamino)carbamate
CID 151130925
ethyl N-(dimethylaminomethylideneamino)carbamate
CID 54558834
ethyl (1E)-N-ethoxycarbonylmethanehydrazonate
CID 118933419
ethyl N-hydroxycarbamate
CID 11510
methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate
CID 121226690
ethyl N-(2-chloroethylideneamino)carbamate
CID 3017310
ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate
CID 566543
ethyl N-iodocarbamate
CID 21443578
CID 88818502
CID 88818502
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
ethyl N-fluorocarbamate;methane
CID 158743481

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate?
The IUPAC name of ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate (CID 137234542) is ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate.
What is the SMILES notation for ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate?
The canonical SMILES for ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate is CCOC(=O)NN=NNC(=O)OCC.
What is the InChIKey of ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate?
The InChIKey is RWGTZMRRJYJMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O4/c1-3-13-5(11)7-9-10-8-6(12)14-4-2/h3-4H2,1-2H3,(H,7,10,11)(H,8,9,12).
What are the key properties of ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate?
ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate has a molecular weight of 204.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate is sourced from PubChem (CID 137234542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).