2-cyano-N-hydroxy-2-methylbutanamide

C6H10N2O2 — CID 127007084

IUPAC2-cyano-N-hydroxy-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NO
InChIInChI=1S/C6H10N2O2/c1-3-6(2,4-7)5(9)8-10/h10H,3H2,1-2H3,(H,8,9)
InChIKeyCICQHJBMYIQDDA-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.43
Rot. Bonds2

About 2-cyano-N-hydroxy-2-methylbutanamide

2-cyano-N-hydroxy-2-methylbutanamide (PubChem CID 127007084) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-cyano-N-hydroxy-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-hydroxy-2-methylbutanamide
PubChem CID127007084
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-cyano-N-hydroxy-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NO
InChIInChI=1S/C6H10N2O2/c1-3-6(2,4-7)5(9)8-10/h10H,3H2,1-2H3,(H,8,9)
InChIKeyCICQHJBMYIQDDA-UHFFFAOYSA-N
XLogP0.43
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
CID 106350117
2-cyano-2-methyl-N-(2-methylbutyl)butanamide
CID 114291439
2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 114291661
2-cyano-N-[2-(ethylsulfamoyl)ethyl]-2-methylbutanamide
CID 114175317
N-(4-bromo-2,6-dimethylphenyl)-2-cyano-2-methylbutanamide
CID 113270169
2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide
CID 114291024
2-cyano-2-methyl-N-(4-methylpentyl)butanamide
CID 114291478
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
CID 114291632
2-cyano-2-methyl-N-pyridin-4-ylbutanamide
CID 114291006

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-hydroxy-2-methylbutanamide?
The IUPAC name of 2-cyano-N-hydroxy-2-methylbutanamide (CID 127007084) is 2-cyano-N-hydroxy-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-hydroxy-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-hydroxy-2-methylbutanamide is CCC(C)(C#N)C(=O)NO.
What is the InChIKey of 2-cyano-N-hydroxy-2-methylbutanamide?
The InChIKey is CICQHJBMYIQDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-6(2,4-7)5(9)8-10/h10H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-cyano-N-hydroxy-2-methylbutanamide?
2-cyano-N-hydroxy-2-methylbutanamide has a molecular weight of 142.16 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-hydroxy-2-methylbutanamide is sourced from PubChem (CID 127007084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).