butanediamide;molybdenum

C4H8MoN2O2 — CID 161333962

IUPACbutanediamide;molybdenum
SMILESNC(=O)CCC(N)=O.[Mo]
InChIInChI=1S/C4H8N2O2.Mo/c5-3(7)1-2-4(6)8;/h1-2H2,(H2,5,7)(H2,6,8);
InChIKeyVLUAWCKJGDPERL-UHFFFAOYSA-N
MW212.06 g/mol
LogP-1.27
Rot. Bonds3

About butanediamide;molybdenum

butanediamide;molybdenum (PubChem CID 161333962) has the molecular formula C4H8MoN2O2 and a molecular weight of 212.06 g/mol. Its IUPAC name is butanediamide;molybdenum.

Molecular Properties

Compound Namebutanediamide;molybdenum
PubChem CID161333962
Molecular FormulaC4H8MoN2O2
Molecular Weight212.06 g/mol
Exact Mass213.96
IUPAC Namebutanediamide;molybdenum
SMILESNC(=O)CCC(N)=O.[Mo]
InChIInChI=1S/C4H8N2O2.Mo/c5-3(7)1-2-4(6)8;/h1-2H2,(H2,5,7)(H2,6,8);
InChIKeyVLUAWCKJGDPERL-UHFFFAOYSA-N
XLogP-1.27
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butanediamide;hydrobromide
CID 158484059
4-amino-4-oxobutanoic acid;molybdenum
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bis(butanediamide);sulfur dioxide
CID 175182532
butanediamide;ethane;molecular hydrogen
CID 144732954
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160978463
dodecanediamide;nonanediamide
CID 175017820
docosanediamide;hexacosanediamide
CID 129179979
nonatetracontanediamide
CID 162734608
hexanediamide;hydrazine
CID 160854105
4-oxopentanamide;zirconium
CID 174464202
4-oxopentanamide;titanium
CID 174475766

Frequently Asked Questions

What is the IUPAC name of butanediamide;molybdenum?
The IUPAC name of butanediamide;molybdenum (CID 161333962) is butanediamide;molybdenum.
What is the SMILES notation for butanediamide;molybdenum?
The canonical SMILES for butanediamide;molybdenum is NC(=O)CCC(N)=O.[Mo].
What is the InChIKey of butanediamide;molybdenum?
The InChIKey is VLUAWCKJGDPERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.Mo/c5-3(7)1-2-4(6)8;/h1-2H2,(H2,5,7)(H2,6,8);.
What are the key properties of butanediamide;molybdenum?
butanediamide;molybdenum has a molecular weight of 212.06 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanediamide;molybdenum is sourced from PubChem (CID 161333962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).