2-hydroxy-1-hydroxyimino-2-methylpentan-3-one

C6H11NO3 — CID 141444233

IUPAC2-hydroxy-1-hydroxyimino-2-methylpentan-3-one
SMILESCCC(=O)C(C)(O)C=NO
InChIInChI=1S/C6H11NO3/c1-3-5(8)6(2,9)4-7-10/h4,9-10H,3H2,1-2H3
InChIKeyXJKVXQXXRPMQON-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.18
Rot. Bonds3

About 2-hydroxy-1-hydroxyimino-2-methylpentan-3-one

2-hydroxy-1-hydroxyimino-2-methylpentan-3-one (PubChem CID 141444233) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-hydroxy-1-hydroxyimino-2-methylpentan-3-one.

Molecular Properties

Compound Name2-hydroxy-1-hydroxyimino-2-methylpentan-3-one
PubChem CID141444233
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-hydroxy-1-hydroxyimino-2-methylpentan-3-one
SMILESCCC(=O)C(C)(O)C=NO
InChIInChI=1S/C6H11NO3/c1-3-5(8)6(2,9)4-7-10/h4,9-10H,3H2,1-2H3
InChIKeyXJKVXQXXRPMQON-UHFFFAOYSA-N
XLogP0.18
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

silver;(NE)-N-ethylidenehydroxylamine;2-hydroxy-2-methylbutanoate
CID 131974720
4,4-dimethylhex-5-en-3-one
CID 10986231
2,2-difluoropentan-3-one
CID 23462566
2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid
CID 22153533
(4R,5R)-5-bromo-4-ethyl-4,5-dihydroxyhexan-3-one
CID 97050275
4-hydroxy-4-propylheptan-3-one
CID 4046813
1,1,1-tribromobutan-2-one
CID 5323804
2,2-dimethylpentan-3-one;2,2,4,5-tetramethylhex-4-en-3-one
CID 157482006
3,3-dimethylbutan-2-one;2,2-dimethylhexan-3-one;2,2-dimethylpentan-3-one
CID 157431083
(E)-2,2-dimethylhept-4-en-3-one
CID 12757137
N-methylidenehydroxylamine;2-oxobutanal
CID 19820227
2,2-diethoxypentan-3-one
CID 163406008

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-hydroxyimino-2-methylpentan-3-one?
The IUPAC name of 2-hydroxy-1-hydroxyimino-2-methylpentan-3-one (CID 141444233) is 2-hydroxy-1-hydroxyimino-2-methylpentan-3-one.
What is the SMILES notation for 2-hydroxy-1-hydroxyimino-2-methylpentan-3-one?
The canonical SMILES for 2-hydroxy-1-hydroxyimino-2-methylpentan-3-one is CCC(=O)C(C)(O)C=NO.
What is the InChIKey of 2-hydroxy-1-hydroxyimino-2-methylpentan-3-one?
The InChIKey is XJKVXQXXRPMQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(8)6(2,9)4-7-10/h4,9-10H,3H2,1-2H3.
What are the key properties of 2-hydroxy-1-hydroxyimino-2-methylpentan-3-one?
2-hydroxy-1-hydroxyimino-2-methylpentan-3-one has a molecular weight of 145.16 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-hydroxyimino-2-methylpentan-3-one is sourced from PubChem (CID 141444233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).