2-amino-5-oxohexanal

C6H11NO2 — CID 59651251

IUPAC2-amino-5-oxohexanal
SMILESCC(=O)CCC(N)C=O
InChIInChI=1S/C6H11NO2/c1-5(9)2-3-6(7)4-8/h4,6H,2-3,7H2,1H3
InChIKeyAGDLHGMMANUOIB-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.12
Rot. Bonds4

About 2-amino-5-oxohexanal

2-amino-5-oxohexanal (PubChem CID 59651251) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-amino-5-oxohexanal.

Molecular Properties

Compound Name2-amino-5-oxohexanal
PubChem CID59651251
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-amino-5-oxohexanal
SMILESCC(=O)CCC(N)C=O
InChIInChI=1S/C6H11NO2/c1-5(9)2-3-6(7)4-8/h4,6H,2-3,7H2,1H3
InChIKeyAGDLHGMMANUOIB-UHFFFAOYSA-N
XLogP-0.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxohexanal?
The IUPAC name of 2-amino-5-oxohexanal (CID 59651251) is 2-amino-5-oxohexanal.
What is the SMILES notation for 2-amino-5-oxohexanal?
The canonical SMILES for 2-amino-5-oxohexanal is CC(=O)CCC(N)C=O.
What is the InChIKey of 2-amino-5-oxohexanal?
The InChIKey is AGDLHGMMANUOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(9)2-3-6(7)4-8/h4,6H,2-3,7H2,1H3.
What are the key properties of 2-amino-5-oxohexanal?
2-amino-5-oxohexanal has a molecular weight of 129.16 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxohexanal is sourced from PubChem (CID 59651251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).