3-[(hydroxyamino)methyl]pentan-2-one

C6H13NO2 — CID 141217416

IUPAC3-[(hydroxyamino)methyl]pentan-2-one
SMILESCCC(CNO)C(C)=O
InChIInChI=1S/C6H13NO2/c1-3-6(4-7-9)5(2)8/h6-7,9H,3-4H2,1-2H3
InChIKeyOLMPYOWFYIDSAE-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.58
Rot. Bonds4

About 3-[(hydroxyamino)methyl]pentan-2-one

3-[(hydroxyamino)methyl]pentan-2-one (PubChem CID 141217416) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-[(hydroxyamino)methyl]pentan-2-one.

Molecular Properties

Compound Name3-[(hydroxyamino)methyl]pentan-2-one
PubChem CID141217416
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-[(hydroxyamino)methyl]pentan-2-one
SMILESCCC(CNO)C(C)=O
InChIInChI=1S/C6H13NO2/c1-3-6(4-7-9)5(2)8/h6-7,9H,3-4H2,1-2H3
InChIKeyOLMPYOWFYIDSAE-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylaminomethyl)pentan-2-one
CID 143094053
3-ethyl-4-oxopentanehydrazide
CID 160685877
ethane;3-ethyl-5-methylhexan-2-one
CID 143623383
3-ethyl-5-fluoropentan-2-one
CID 80696730
3-ethylhex-5-en-2-one
CID 58995117
sodium 3-ethyl-4-oxopentanoate
CID 158418112
5,5-Dichloro-3-ethylpentan-2-one--lambda~2~-stannane (1/1)
CID 71393770
dioctyltin;3-ethylpentan-2-one
CID 175380783
3-ethylhept-5-yn-2-one
CID 62310973
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
3-ethyl-6-phenylhex-5-en-2-one
CID 76864530
N-(2-aminopropyl)-2-ethylbutanamide
CID 63732725

Frequently Asked Questions

What is the IUPAC name of 3-[(hydroxyamino)methyl]pentan-2-one?
The IUPAC name of 3-[(hydroxyamino)methyl]pentan-2-one (CID 141217416) is 3-[(hydroxyamino)methyl]pentan-2-one.
What is the SMILES notation for 3-[(hydroxyamino)methyl]pentan-2-one?
The canonical SMILES for 3-[(hydroxyamino)methyl]pentan-2-one is CCC(CNO)C(C)=O.
What is the InChIKey of 3-[(hydroxyamino)methyl]pentan-2-one?
The InChIKey is OLMPYOWFYIDSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-6(4-7-9)5(2)8/h6-7,9H,3-4H2,1-2H3.
What are the key properties of 3-[(hydroxyamino)methyl]pentan-2-one?
3-[(hydroxyamino)methyl]pentan-2-one has a molecular weight of 131.18 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(hydroxyamino)methyl]pentan-2-one is sourced from PubChem (CID 141217416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).