butanediamide;hydrobromide

C4H9BrN2O2 — CID 158484059

IUPACbutanediamide;hydrobromide
SMILESBr.NC(=O)CCC(N)=O
InChIInChI=1S/C4H8N2O2.BrH/c5-3(7)1-2-4(6)8;/h1-2H2,(H2,5,7)(H2,6,8);1H
InChIKeyGAMSPISYDLOWNZ-UHFFFAOYSA-N
MW197.03 g/mol
LogP-0.68
Rot. Bonds3

About butanediamide;hydrobromide

butanediamide;hydrobromide (PubChem CID 158484059) has the molecular formula C4H9BrN2O2 and a molecular weight of 197.03 g/mol. Its IUPAC name is butanediamide;hydrobromide.

Molecular Properties

Compound Namebutanediamide;hydrobromide
PubChem CID158484059
Molecular FormulaC4H9BrN2O2
Molecular Weight197.03 g/mol
Exact Mass195.98
IUPAC Namebutanediamide;hydrobromide
SMILESBr.NC(=O)CCC(N)=O
InChIInChI=1S/C4H8N2O2.BrH/c5-3(7)1-2-4(6)8;/h1-2H2,(H2,5,7)(H2,6,8);1H
InChIKeyGAMSPISYDLOWNZ-UHFFFAOYSA-N
XLogP-0.68
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butanediamide;molybdenum
CID 161333962
bis(butanediamide);sulfur dioxide
CID 175182532
butanediamide;ethane;molecular hydrogen
CID 144732954
pentadecanediamide
CID 87429217
docosanediamide;hexacosanediamide
CID 129179979
hexanediamide;hydrazine
CID 160978463
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
hexanediamide;hydrazine
CID 160854105
4-amino-4-oxobutanoic acid;molybdenum
CID 159348588
butanamide;dihydrobromide
CID 140988378
4-oxopentanamide;titanium
CID 174475766

Frequently Asked Questions

What is the IUPAC name of butanediamide;hydrobromide?
The IUPAC name of butanediamide;hydrobromide (CID 158484059) is butanediamide;hydrobromide.
What is the SMILES notation for butanediamide;hydrobromide?
The canonical SMILES for butanediamide;hydrobromide is Br.NC(=O)CCC(N)=O.
What is the InChIKey of butanediamide;hydrobromide?
The InChIKey is GAMSPISYDLOWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.BrH/c5-3(7)1-2-4(6)8;/h1-2H2,(H2,5,7)(H2,6,8);1H.
What are the key properties of butanediamide;hydrobromide?
butanediamide;hydrobromide has a molecular weight of 197.03 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanediamide;hydrobromide is sourced from PubChem (CID 158484059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).