potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide

C6H10BrKN2O4 — CID 173295578

IUPACpotassium;ethyl N-ethoxycarbonyliminocarbamate;bromide
SMILESCCOC(=O)N=NC(=O)OCC.[Br-].[K+]
InChIInChI=1S/C6H10N2O4.BrH.K/c1-3-11-5(9)7-8-6(10)12-4-2;;/h3-4H2,1-2H3;1H;/q;;+1/p-1
InChIKeyZRHKVZAWORVCHJ-UHFFFAOYSA-M
MW293.16 g/mol
LogP-4.24
Rot. Bonds2

About potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide

potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide (PubChem CID 173295578) has the molecular formula C6H10BrKN2O4 and a molecular weight of 293.16 g/mol. Its IUPAC name is potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide.

Molecular Properties

Compound Namepotassium;ethyl N-ethoxycarbonyliminocarbamate;bromide
PubChem CID173295578
Molecular FormulaC6H10BrKN2O4
Molecular Weight293.16 g/mol
Exact Mass291.95
IUPAC Namepotassium;ethyl N-ethoxycarbonyliminocarbamate;bromide
SMILESCCOC(=O)N=NC(=O)OCC.[Br-].[K+]
InChIInChI=1S/C6H10N2O4.BrH.K/c1-3-11-5(9)7-8-6(10)12-4-2;;/h3-4H2,1-2H3;1H;/q;;+1/p-1
InChIKeyZRHKVZAWORVCHJ-UHFFFAOYSA-M
XLogP-4.24
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 5-4.24
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

ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
ethyl N-carbamoyliminocarbamate
CID 158260116
2-methylpropyl N-ethoxycarbonyliminocarbamate
CID 140646450
hexyl N-ethoxycarbonyliminocarbamate
CID 140646328
ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate
CID 12530393
methyl (E)-3-(ethoxycarbonyldiazenyl)pent-2-enoate
CID 102575552
CID 175796855
CID 175796855
ethyl N-ethoxycarbonylbutanimidate
CID 86637971
CID 154087033
CID 154087033
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
ethyl N-(2,2,4,4-tetramethylpentan-3-ylidene)carbamate
CID 13482927

Frequently Asked Questions

What is the IUPAC name of potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide?
The IUPAC name of potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide (CID 173295578) is potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide.
What is the SMILES notation for potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide?
The canonical SMILES for potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide is CCOC(=O)N=NC(=O)OCC.[Br-].[K+].
What is the InChIKey of potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide?
The InChIKey is ZRHKVZAWORVCHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10N2O4.BrH.K/c1-3-11-5(9)7-8-6(10)12-4-2;;/h3-4H2,1-2H3;1H;/q;;+1/p-1.
What are the key properties of potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide?
potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide has a molecular weight of 293.16 g/mol, XLogP of -4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide is sourced from PubChem (CID 173295578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).