[(E)-5-hydroxy-4-oxopent-2-enyl]azanium

C5H10NO2+ — CID 140788985

IUPAC[(E)-5-hydroxy-4-oxopent-2-enyl]azanium
SMILES[NH3+]C/C=C/C(=O)CO
InChIInChI=1S/C5H9NO2/c6-3-1-2-5(8)4-7/h1-2,7H,3-4,6H2/p+1/b2-1+
InChIKeyNBPXNDKQOVVGNU-OWOJBTEDSA-O
MW116.14 g/mol
LogP-1.65
Rot. Bonds3

About [(E)-5-hydroxy-4-oxopent-2-enyl]azanium

[(E)-5-hydroxy-4-oxopent-2-enyl]azanium (PubChem CID 140788985) has the molecular formula C5H10NO2+ and a molecular weight of 116.14 g/mol. Its IUPAC name is [(E)-5-hydroxy-4-oxopent-2-enyl]azanium.

Molecular Properties

Compound Name[(E)-5-hydroxy-4-oxopent-2-enyl]azanium
PubChem CID140788985
Molecular FormulaC5H10NO2+
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name[(E)-5-hydroxy-4-oxopent-2-enyl]azanium
SMILES[NH3+]C/C=C/C(=O)CO
InChIInChI=1S/C5H9NO2/c6-3-1-2-5(8)4-7/h1-2,7H,3-4,6H2/p+1/b2-1+
InChIKeyNBPXNDKQOVVGNU-OWOJBTEDSA-O
XLogP-1.65
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-5-hydroxy-4-oxopent-2-enyl]azanium?
The IUPAC name of [(E)-5-hydroxy-4-oxopent-2-enyl]azanium (CID 140788985) is [(E)-5-hydroxy-4-oxopent-2-enyl]azanium.
What is the SMILES notation for [(E)-5-hydroxy-4-oxopent-2-enyl]azanium?
The canonical SMILES for [(E)-5-hydroxy-4-oxopent-2-enyl]azanium is [NH3+]C/C=C/C(=O)CO.
What is the InChIKey of [(E)-5-hydroxy-4-oxopent-2-enyl]azanium?
The InChIKey is NBPXNDKQOVVGNU-OWOJBTEDSA-O. The full InChI is InChI=1S/C5H9NO2/c6-3-1-2-5(8)4-7/h1-2,7H,3-4,6H2/p+1/b2-1+.
What are the key properties of [(E)-5-hydroxy-4-oxopent-2-enyl]azanium?
[(E)-5-hydroxy-4-oxopent-2-enyl]azanium has a molecular weight of 116.14 g/mol, XLogP of -1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-hydroxy-4-oxopent-2-enyl]azanium is sourced from PubChem (CID 140788985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).