N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide

C7H14N2O2 — CID 87662257

IUPACN-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide
SMILESCC(=O)CCC(C)/N=C/NO
InChIInChI=1S/C7H14N2O2/c1-6(8-5-9-11)3-4-7(2)10/h5-6,11H,3-4H2,1-2H3,(H,8,9)
InChIKeyGMWAKZVVFFMMCS-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.75
Rot. Bonds5

About N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide

N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide (PubChem CID 87662257) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide
PubChem CID87662257
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide
SMILESCC(=O)CCC(C)/N=C/NO
InChIInChI=1S/C7H14N2O2/c1-6(8-5-9-11)3-4-7(2)10/h5-6,11H,3-4H2,1-2H3,(H,8,9)
InChIKeyGMWAKZVVFFMMCS-UHFFFAOYSA-N
XLogP0.75
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-hydroxyhexan-2-one
CID 11491928
5-hydrazinylhexan-2-one
CID 90310478
2,6-dimethylheptan-4-one;5-methylhexan-2-one
CID 88697321
14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid
CID 129234537
2-methyl-6-oxoheptanal
CID 14561323
5-(benzhydrylideneamino)hexan-2-one
CID 21343384
(5S)-5-methyl-7-(methylamino)heptan-2-one
CID 89328211
14-methylpentadecane-2,8-dione
CID 159096890
6-(methylideneamino)heptan-2-one
CID 20609407
8-methylnonan-2-one
CID 528744
18-methylnonadecan-2-one
CID 90921447
(4S)-4-deuterio-5-methylhexan-2-one;(4R)-4-deuterio-5-methylhexan-2-one;4-deuterio-5-methylhexan-2-one;tris(5-methylhexan-2-one);tris(3,3,4,4-tetradeuterio-5-methylhexan-2-one)
CID 159540078

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide?
The IUPAC name of N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide (CID 87662257) is N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide.
What is the SMILES notation for N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide?
The canonical SMILES for N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide is CC(=O)CCC(C)/N=C/NO.
What is the InChIKey of N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide?
The InChIKey is GMWAKZVVFFMMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(8-5-9-11)3-4-7(2)10/h5-6,11H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide?
N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide has a molecular weight of 158.20 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(5-oxohexan-2-yl)methanimidamide is sourced from PubChem (CID 87662257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).