6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one

C5H5N3O2 — CID 135408691

IUPAC6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(/C=N/O)[nH]1
InChIInChI=1S/C5H5N3O2/c9-5-6-2-1-4(8-5)3-7-10/h1-3,10H,(H,6,8,9)/b7-3+
InChIKeyXBWGLAJSRHRQSF-XVNBXDOJSA-N
MW139.11 g/mol
LogP-0.42
Rot. Bonds1

About 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one

6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one (PubChem CID 135408691) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one
PubChem CID135408691
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(/C=N/O)[nH]1
InChIInChI=1S/C5H5N3O2/c9-5-6-2-1-4(8-5)3-7-10/h1-3,10H,(H,6,8,9)/b7-3+
InChIKeyXBWGLAJSRHRQSF-XVNBXDOJSA-N
XLogP-0.42
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one (CID 135408691) is 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one is O=c1nccc(/C=N/O)[nH]1.
What is the InChIKey of 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one?
The InChIKey is XBWGLAJSRHRQSF-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H5N3O2/c9-5-6-2-1-4(8-5)3-7-10/h1-3,10H,(H,6,8,9)/b7-3+.
What are the key properties of 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one?
6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one has a molecular weight of 139.11 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 135408691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).