potassium;hydride;3-oxobutanenitrile

C4H6KNO — CID 173335106

IUPACpotassium;hydride;3-oxobutanenitrile
SMILESCC(=O)CC#N.[H-].[K+]
InChIInChI=1S/C4H5NO.K.H/c1-4(6)2-3-5;;/h2H2,1H3;;/q;+1;-1
InChIKeyBNEYOHAIINVBCX-UHFFFAOYSA-N
MW123.20 g/mol
LogP-2.39
Rot. Bonds1

About potassium;hydride;3-oxobutanenitrile

potassium;hydride;3-oxobutanenitrile (PubChem CID 173335106) has the molecular formula C4H6KNO and a molecular weight of 123.20 g/mol. Its IUPAC name is potassium;hydride;3-oxobutanenitrile.

Molecular Properties

Compound Namepotassium;hydride;3-oxobutanenitrile
PubChem CID173335106
Molecular FormulaC4H6KNO
Molecular Weight123.20 g/mol
Exact Mass123.01
IUPAC Namepotassium;hydride;3-oxobutanenitrile
SMILESCC(=O)CC#N.[H-].[K+]
InChIInChI=1S/C4H5NO.K.H/c1-4(6)2-3-5;;/h2H2,1H3;;/q;+1;-1
InChIKeyBNEYOHAIINVBCX-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 ≤ 500123.20
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-cyanoacetyl)-3-oxobutanamide
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N-(2-aminopropyl)-2-cyanoacetamide
CID 117126576
(2-cyanoacetyl)oxidanium
CID 168791159
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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;3-oxobutanenitrile?
The IUPAC name of potassium;hydride;3-oxobutanenitrile (CID 173335106) is potassium;hydride;3-oxobutanenitrile.
What is the SMILES notation for potassium;hydride;3-oxobutanenitrile?
The canonical SMILES for potassium;hydride;3-oxobutanenitrile is CC(=O)CC#N.[H-].[K+].
What is the InChIKey of potassium;hydride;3-oxobutanenitrile?
The InChIKey is BNEYOHAIINVBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.K.H/c1-4(6)2-3-5;;/h2H2,1H3;;/q;+1;-1.
What are the key properties of potassium;hydride;3-oxobutanenitrile?
potassium;hydride;3-oxobutanenitrile has a molecular weight of 123.20 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 potassium;hydride;3-oxobutanenitrile is sourced from PubChem (CID 173335106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).