N,N-dimethylacetamide;oxalonitrile

C6H9N3O — CID 174761763

IUPACN,N-dimethylacetamide;oxalonitrile
SMILESCC(=O)N(C)C.N#CC#N
InChIInChI=1S/C4H9NO.C2N2/c1-4(6)5(2)3;3-1-2-4/h1-3H3;
InChIKeyHQALXFZLXCHKET-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.13
Rot. Bonds

About N,N-dimethylacetamide;oxalonitrile

N,N-dimethylacetamide;oxalonitrile (PubChem CID 174761763) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N,N-dimethylacetamide;oxalonitrile.

Molecular Properties

Compound NameN,N-dimethylacetamide;oxalonitrile
PubChem CID174761763
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN,N-dimethylacetamide;oxalonitrile
SMILESCC(=O)N(C)C.N#CC#N
InChIInChI=1S/C4H9NO.C2N2/c1-4(6)5(2)3;3-1-2-4/h1-3H3;
InChIKeyHQALXFZLXCHKET-UHFFFAOYSA-N
XLogP0.13
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azane;N,N-dimethylacetamide
CID 161145572
N,N-dimethylacetamide;hexanedinitrile
CID 163600575
bis(acetonitrile);tetrakis(N,N-dimethylacetamide);nickel(2+);ditetrafluoroborate
CID 139055748
N,N-dimethylacetamide;molecular iodine
CID 158534416
lithium;N,N-dimethylacetamide;chloride
CID 87129072
N,N-dimethylacetamide;formaldehyde
CID 54040691
N,N-dimethylacetamide;methylsulfinylmethane;hydrate
CID 19812504
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527
carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)
CID 160573879
N,N-dimethylacetamide;permanganic acid
CID 174571384
calcium;N,N-dimethylacetamide;diacetate
CID 175064438
N,N-dimethylacetamide;ethane-1,2-diol
CID 19046924

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;oxalonitrile?
The IUPAC name of N,N-dimethylacetamide;oxalonitrile (CID 174761763) is N,N-dimethylacetamide;oxalonitrile.
What is the SMILES notation for N,N-dimethylacetamide;oxalonitrile?
The canonical SMILES for N,N-dimethylacetamide;oxalonitrile is CC(=O)N(C)C.N#CC#N.
What is the InChIKey of N,N-dimethylacetamide;oxalonitrile?
The InChIKey is HQALXFZLXCHKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2N2/c1-4(6)5(2)3;3-1-2-4/h1-3H3;.
What are the key properties of N,N-dimethylacetamide;oxalonitrile?
N,N-dimethylacetamide;oxalonitrile has a molecular weight of 139.16 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;oxalonitrile is sourced from PubChem (CID 174761763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).