6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one

C11H10N4O2 — CID 135630654

IUPAC6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(N/N=C/c2ccccc2O)[nH]1
InChIInChI=1S/C11H10N4O2/c16-9-4-2-1-3-8(9)7-13-15-10-5-6-12-11(17)14-10/h1-7,16H,(H2,12,14,15,17)/b13-7+
InChIKeyPJHOJQOXFURGQO-NTUHNPAUSA-N
MW230.23 g/mol
LogP0.92
Rot. Bonds3

About 6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one

6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one (PubChem CID 135630654) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
PubChem CID135630654
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(N/N=C/c2ccccc2O)[nH]1
InChIInChI=1S/C11H10N4O2/c16-9-4-2-1-3-8(9)7-13-15-10-5-6-12-11(17)14-10/h1-7,16H,(H2,12,14,15,17)/b13-7+
InChIKeyPJHOJQOXFURGQO-NTUHNPAUSA-N
XLogP0.92
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one (CID 135630654) is 6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one is O=c1nccc(N/N=C/c2ccccc2O)[nH]1.
What is the InChIKey of 6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The InChIKey is PJHOJQOXFURGQO-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-9-4-2-1-3-8(9)7-13-15-10-5-6-12-11(17)14-10/h1-7,16H,(H2,12,14,15,17)/b13-7+.
What are the key properties of 6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one has a molecular weight of 230.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 135630654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).