sodium;hydride;3-oxobutanenitrile

C4H6NNaO — CID 173052297

IUPACsodium;hydride;3-oxobutanenitrile
SMILESCC(=O)CC#N.[H-].[Na+]
InChIInChI=1S/C4H5NO.Na.H/c1-4(6)2-3-5;;/h2H2,1H3;;/q;+1;-1
InChIKeyDYIUMWGFKZSWIS-UHFFFAOYSA-N
MW107.09 g/mol
LogP-2.39
Rot. Bonds1

About sodium;hydride;3-oxobutanenitrile

sodium;hydride;3-oxobutanenitrile (PubChem CID 173052297) has the molecular formula C4H6NNaO and a molecular weight of 107.09 g/mol. Its IUPAC name is sodium;hydride;3-oxobutanenitrile.

Molecular Properties

Compound Namesodium;hydride;3-oxobutanenitrile
PubChem CID173052297
Molecular FormulaC4H6NNaO
Molecular Weight107.09 g/mol
Exact Mass107.03
IUPAC Namesodium;hydride;3-oxobutanenitrile
SMILESCC(=O)CC#N.[H-].[Na+]
InChIInChI=1S/C4H5NO.Na.H/c1-4(6)2-3-5;;/h2H2,1H3;;/q;+1;-1
InChIKeyDYIUMWGFKZSWIS-UHFFFAOYSA-N
XLogP-2.39
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.09
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium;hydride;3-oxobutanenitrile
CID 173335106
acetic acid;3-oxobutanenitrile
CID 172702854
3,5-dioxohexanenitrile
CID 14165401
N-(2-cyanoacetyl)-3-oxobutanamide
CID 12947122
3,7-dimethyl-5-oxoocta-3,6-dienenitrile
CID 175904429
2-(azanylidyne(113C)methyl)acetic acid
CID 169436842
(2-cyanoacetyl)oxidanium
CID 168791159
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide
CID 108537366
3-(4-acetylpiperazin-1-yl)-3-oxopropanenitrile
CID 24696391
acetonitrile;butan-2-one;propan-2-one
CID 165107970
ethyl 2-(azanylidyne(113C)methyl)acetate
CID 71316554
[C-(cyanomethyl)-N-hydroxycarbonimidoyl] acetate
CID 173324974

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-oxobutanenitrile?
The IUPAC name of sodium;hydride;3-oxobutanenitrile (CID 173052297) is sodium;hydride;3-oxobutanenitrile.
What is the SMILES notation for sodium;hydride;3-oxobutanenitrile?
The canonical SMILES for sodium;hydride;3-oxobutanenitrile is CC(=O)CC#N.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-oxobutanenitrile?
The InChIKey is DYIUMWGFKZSWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.Na.H/c1-4(6)2-3-5;;/h2H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;3-oxobutanenitrile?
sodium;hydride;3-oxobutanenitrile has a molecular weight of 107.09 g/mol, XLogP of -2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-oxobutanenitrile is sourced from PubChem (CID 173052297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).