2-hydroxy-6-oxohexanamide

C6H11NO3 — CID 175466908

IUPAC2-hydroxy-6-oxohexanamide
SMILESNC(=O)C(O)CCCC=O
InChIInChI=1S/C6H11NO3/c7-6(10)5(9)3-1-2-4-8/h4-5,9H,1-3H2,(H2,7,10)
InChIKeyYEOZVBVNHGKCDF-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.80
Rot. Bonds5

About 2-hydroxy-6-oxohexanamide

2-hydroxy-6-oxohexanamide (PubChem CID 175466908) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-hydroxy-6-oxohexanamide.

Molecular Properties

Compound Name2-hydroxy-6-oxohexanamide
PubChem CID175466908
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-hydroxy-6-oxohexanamide
SMILESNC(=O)C(O)CCCC=O
InChIInChI=1S/C6H11NO3/c7-6(10)5(9)3-1-2-4-8/h4-5,9H,1-3H2,(H2,7,10)
InChIKeyYEOZVBVNHGKCDF-UHFFFAOYSA-N
XLogP-0.80
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-6-oxohexanamide
CID 54192853
2-hydroxyoctadecanamide
CID 14598043
2-hydroxypentanediamide
CID 559184
(2S)-2-hydroxy-4-iodobutanamide
CID 143841991
20-amino-20-hydroxyicosanal
CID 89131353
5-ethylsulfanyl-2-hydroxypentanamide
CID 141016967
5-acetyl-6-oxoheptanal;zirconium
CID 87182173
5-hydroxyoctanal
CID 54248840
2-methyl-6-oxohexanoic acid
CID 19986900
17-oxoheptadecanamide
CID 54112129
12-oxododecanamide
CID 54019408
5-(1,3-dihydroxypropyl)-7,9-dihydroxy-6-oxononanal
CID 175451441

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxohexanamide?
The IUPAC name of 2-hydroxy-6-oxohexanamide (CID 175466908) is 2-hydroxy-6-oxohexanamide.
What is the SMILES notation for 2-hydroxy-6-oxohexanamide?
The canonical SMILES for 2-hydroxy-6-oxohexanamide is NC(=O)C(O)CCCC=O.
What is the InChIKey of 2-hydroxy-6-oxohexanamide?
The InChIKey is YEOZVBVNHGKCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c7-6(10)5(9)3-1-2-4-8/h4-5,9H,1-3H2,(H2,7,10).
What are the key properties of 2-hydroxy-6-oxohexanamide?
2-hydroxy-6-oxohexanamide has a molecular weight of 145.16 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxohexanamide is sourced from PubChem (CID 175466908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).