6-amino-4-oxohexanal

C6H11NO2 — CID 23192473

IUPAC6-amino-4-oxohexanal
SMILESNCCC(=O)CCC=O
InChIInChI=1S/C6H11NO2/c7-4-3-6(9)2-1-5-8/h5H,1-4,7H2
InChIKeyUIZQFJFPFWWJSJ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.12
Rot. Bonds5

About 6-amino-4-oxohexanal

6-amino-4-oxohexanal (PubChem CID 23192473) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 6-amino-4-oxohexanal.

Molecular Properties

Compound Name6-amino-4-oxohexanal
PubChem CID23192473
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name6-amino-4-oxohexanal
SMILESNCCC(=O)CCC=O
InChIInChI=1S/C6H11NO2/c7-4-3-6(9)2-1-5-8/h5H,1-4,7H2
InChIKeyUIZQFJFPFWWJSJ-UHFFFAOYSA-N
XLogP-0.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-hydroxy-4,7,10-trioxododecanal
CID 87281698
9,12-dioxododecanoic acid
CID 5312888
4-oxodec-7-enal
CID 3016242
4-oxohexanal;zirconium
CID 175550400
(E)-9-bromo-4-methyl-8-oxonon-4-enal
CID 12944767
1-aminohexan-3-one;carbon dioxide
CID 158553440
2,5-dioxopentanoic acid
CID 87139095
4-amino-N-(4-oxobutyl)butanamide
CID 123471049
N-hydroperoxy-4-oxobutanamide
CID 90201335
(2R)-2,7-diamino-5-oxoheptanoic acid
CID 174747193
N-methoxy-4-oxobutanamide
CID 126994320
6,19-dioxononadecanoic acid
CID 174486192

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-oxohexanal?
The IUPAC name of 6-amino-4-oxohexanal (CID 23192473) is 6-amino-4-oxohexanal.
What is the SMILES notation for 6-amino-4-oxohexanal?
The canonical SMILES for 6-amino-4-oxohexanal is NCCC(=O)CCC=O.
What is the InChIKey of 6-amino-4-oxohexanal?
The InChIKey is UIZQFJFPFWWJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c7-4-3-6(9)2-1-5-8/h5H,1-4,7H2.
What are the key properties of 6-amino-4-oxohexanal?
6-amino-4-oxohexanal has a molecular weight of 129.16 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-oxohexanal is sourced from PubChem (CID 23192473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).