butanediamide;ethane;molecular hydrogen

C6H16N2O2 — CID 144732954

IUPACbutanediamide;ethane;molecular hydrogen
SMILESCC.NC(=O)CCC(N)=O.[H][H]
InChIInChI=1S/C4H8N2O2.C2H6.H2/c5-3(7)1-2-4(6)8;1-2;/h1-2H2,(H2,5,7)(H2,6,8);1-2H3;1H
InChIKeyDUXZUVUJGDIMKP-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.01
Rot. Bonds3

About butanediamide;ethane;molecular hydrogen

butanediamide;ethane;molecular hydrogen (PubChem CID 144732954) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is butanediamide;ethane;molecular hydrogen.

Molecular Properties

Compound Namebutanediamide;ethane;molecular hydrogen
PubChem CID144732954
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Namebutanediamide;ethane;molecular hydrogen
SMILESCC.NC(=O)CCC(N)=O.[H][H]
InChIInChI=1S/C4H8N2O2.C2H6.H2/c5-3(7)1-2-4(6)8;1-2;/h1-2H2,(H2,5,7)(H2,6,8);1-2H3;1H
InChIKeyDUXZUVUJGDIMKP-UHFFFAOYSA-N
XLogP0.01
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butanediamide;molybdenum
CID 161333962
butanediamide;hydrobromide
CID 158484059
4-amino-4-oxobutanoic acid;molybdenum
CID 159348588
bis(butanediamide);sulfur dioxide
CID 175182532
4-oxopentanamide;zirconium
CID 174464202
4-oxopentanamide;titanium
CID 174475766
butanamide
CID 141414886
5-aminopentanamide;ethane
CID 145257040
nonatetracontanediamide
CID 162734608
hexanediamide;hydrazine
CID 160978463
pentadecanediamide
CID 87429217
dodecanediamide;nonanediamide
CID 175017820

Frequently Asked Questions

What is the IUPAC name of butanediamide;ethane;molecular hydrogen?
The IUPAC name of butanediamide;ethane;molecular hydrogen (CID 144732954) is butanediamide;ethane;molecular hydrogen.
What is the SMILES notation for butanediamide;ethane;molecular hydrogen?
The canonical SMILES for butanediamide;ethane;molecular hydrogen is CC.NC(=O)CCC(N)=O.[H][H].
What is the InChIKey of butanediamide;ethane;molecular hydrogen?
The InChIKey is DUXZUVUJGDIMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.C2H6.H2/c5-3(7)1-2-4(6)8;1-2;/h1-2H2,(H2,5,7)(H2,6,8);1-2H3;1H.
What are the key properties of butanediamide;ethane;molecular hydrogen?
butanediamide;ethane;molecular hydrogen has a molecular weight of 148.21 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanediamide;ethane;molecular hydrogen is sourced from PubChem (CID 144732954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).