6-(5-diazenylpentyl)-4-hydroxypyran-2-one

C10H14N2O3 — CID 70828387

IUPAC6-(5-diazenylpentyl)-4-hydroxypyran-2-one
SMILES[H]/N=N/CCCCCc1cc(O)cc(=O)o1
InChIInChI=1S/C10H14N2O3/c11-12-5-3-1-2-4-9-6-8(13)7-10(14)15-9/h6-7,11,13H,1-5H2/b12-11+
InChIKeyUXHPVQXINRTYNV-VAWYXSNFSA-N
MW210.23 g/mol
LogP2.09
Rot. Bonds6

About 6-(5-diazenylpentyl)-4-hydroxypyran-2-one

6-(5-diazenylpentyl)-4-hydroxypyran-2-one (PubChem CID 70828387) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-(5-diazenylpentyl)-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-(5-diazenylpentyl)-4-hydroxypyran-2-one
PubChem CID70828387
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name6-(5-diazenylpentyl)-4-hydroxypyran-2-one
SMILES[H]/N=N/CCCCCc1cc(O)cc(=O)o1
InChIInChI=1S/C10H14N2O3/c11-12-5-3-1-2-4-9-6-8(13)7-10(14)15-9/h6-7,11,13H,1-5H2/b12-11+
InChIKeyUXHPVQXINRTYNV-VAWYXSNFSA-N
XLogP2.09
TPSA86.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-diazenylpentyl)-4-hydroxypyran-2-one?
The IUPAC name of 6-(5-diazenylpentyl)-4-hydroxypyran-2-one (CID 70828387) is 6-(5-diazenylpentyl)-4-hydroxypyran-2-one.
What is the SMILES notation for 6-(5-diazenylpentyl)-4-hydroxypyran-2-one?
The canonical SMILES for 6-(5-diazenylpentyl)-4-hydroxypyran-2-one is [H]/N=N/CCCCCc1cc(O)cc(=O)o1.
What is the InChIKey of 6-(5-diazenylpentyl)-4-hydroxypyran-2-one?
The InChIKey is UXHPVQXINRTYNV-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-12-5-3-1-2-4-9-6-8(13)7-10(14)15-9/h6-7,11,13H,1-5H2/b12-11+.
What are the key properties of 6-(5-diazenylpentyl)-4-hydroxypyran-2-one?
6-(5-diazenylpentyl)-4-hydroxypyran-2-one has a molecular weight of 210.23 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-diazenylpentyl)-4-hydroxypyran-2-one is sourced from PubChem (CID 70828387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).