(Z)-4-hydroxy-5-iminohex-3-en-2-one

C6H9NO2 — CID 59237850

IUPAC(Z)-4-hydroxy-5-iminohex-3-en-2-one
SMILES[H]/N=C(C)/C(O)=C/C(C)=O
InChIInChI=1S/C6H9NO2/c1-4(8)3-6(9)5(2)7/h3,7,9H,1-2H3/b6-3-,7-5+
InChIKeyGXOZRTGXFFPJDH-DSTIGYBWSA-N
MW127.14 g/mol
LogP1.06
Rot. Bonds2

About (Z)-4-hydroxy-5-iminohex-3-en-2-one

(Z)-4-hydroxy-5-iminohex-3-en-2-one (PubChem CID 59237850) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (Z)-4-hydroxy-5-iminohex-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-5-iminohex-3-en-2-one
PubChem CID59237850
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(Z)-4-hydroxy-5-iminohex-3-en-2-one
SMILES[H]/N=C(C)/C(O)=C/C(C)=O
InChIInChI=1S/C6H9NO2/c1-4(8)3-6(9)5(2)7/h3,7,9H,1-2H3/b6-3-,7-5+
InChIKeyGXOZRTGXFFPJDH-DSTIGYBWSA-N
XLogP1.06
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-5-iminohex-3-en-2-one
CID 72240777
(E)-3-hydroxy-4-iminopent-2-enamide
CID 156031186
bis((Z)-4-hydroxypent-3-en-2-one);(Z)-4-iminopent-2-en-2-ol;ruthenium
CID 135514431
(E)-4-iminopent-2-en-3-ol
CID 165128745

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-5-iminohex-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-5-iminohex-3-en-2-one (CID 59237850) is (Z)-4-hydroxy-5-iminohex-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-5-iminohex-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-5-iminohex-3-en-2-one is [H]/N=C(C)/C(O)=C/C(C)=O.
What is the InChIKey of (Z)-4-hydroxy-5-iminohex-3-en-2-one?
The InChIKey is GXOZRTGXFFPJDH-DSTIGYBWSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4(8)3-6(9)5(2)7/h3,7,9H,1-2H3/b6-3-,7-5+.
What are the key properties of (Z)-4-hydroxy-5-iminohex-3-en-2-one?
(Z)-4-hydroxy-5-iminohex-3-en-2-one has a molecular weight of 127.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-5-iminohex-3-en-2-one is sourced from PubChem (CID 59237850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).