1-hydroxy-3-iminohexan-2-one

C6H11NO2 — CID 146743170

IUPAC1-hydroxy-3-iminohexan-2-one
SMILES[H]/N=C(\CCC)C(=O)CO
InChIInChI=1S/C6H11NO2/c1-2-3-5(7)6(9)4-8/h7-8H,2-4H2,1H3/b7-5+
InChIKeyRLMGVBHKWBCWRI-FNORWQNLSA-N
MW129.16 g/mol
LogP0.37
Rot. Bonds4

About 1-hydroxy-3-iminohexan-2-one

1-hydroxy-3-iminohexan-2-one (PubChem CID 146743170) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-hydroxy-3-iminohexan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-iminohexan-2-one
PubChem CID146743170
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-hydroxy-3-iminohexan-2-one
SMILES[H]/N=C(\CCC)C(=O)CO
InChIInChI=1S/C6H11NO2/c1-2-3-5(7)6(9)4-8/h7-8H,2-4H2,1H3/b7-5+
InChIKeyRLMGVBHKWBCWRI-FNORWQNLSA-N
XLogP0.37
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-iminopentanimidamide
CID 90797983
2-iminohexanoic acid
CID 54447751
(5Z)-5,7-dimethylocta-5,7-dien-4-imine
CID 135190093
CID 161078070
CID 161078070
2-iminoheptan-4-one
CID 54339625
2-iminopentan-3-one;methanol
CID 144635571
butanoate;titanium(2+);acetate
CID 87845450
[(E)-4-imino-3-methylhept-2-enyl] 3-oxobutanoate
CID 175280925
butanimidoyl bromide
CID 151001850
butanoyl(oxido)azanium
CID 141206712
hexan-3-imine
CID 44512023
butanoate;trimethylsulfanium
CID 158016231

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-iminohexan-2-one?
The IUPAC name of 1-hydroxy-3-iminohexan-2-one (CID 146743170) is 1-hydroxy-3-iminohexan-2-one.
What is the SMILES notation for 1-hydroxy-3-iminohexan-2-one?
The canonical SMILES for 1-hydroxy-3-iminohexan-2-one is [H]/N=C(\CCC)C(=O)CO.
What is the InChIKey of 1-hydroxy-3-iminohexan-2-one?
The InChIKey is RLMGVBHKWBCWRI-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-5(7)6(9)4-8/h7-8H,2-4H2,1H3/b7-5+.
What are the key properties of 1-hydroxy-3-iminohexan-2-one?
1-hydroxy-3-iminohexan-2-one has a molecular weight of 129.16 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-iminohexan-2-one is sourced from PubChem (CID 146743170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).