CID 58399060

C4H3NO2 — CID 58399060

IUPAC—
SMILES[CH]C1=NOC(=O)C1
InChIInChI=1S/C4H3NO2/c1-3-2-4(6)7-5-3/h1H,2H2
InChIKeyDJWZMWUJOQKQNF-UHFFFAOYSA-N
MW97.07 g/mol
LogP0.00
Rot. Bonds

About CID 58399060

CID 58399060 (PubChem CID 58399060) has the molecular formula C4H3NO2 and a molecular weight of 97.07 g/mol.

Molecular Properties

Compound NameCID 58399060
PubChem CID58399060
Molecular FormulaC4H3NO2
Molecular Weight97.07 g/mol
Exact Mass97.02
IUPAC Name—
SMILES[CH]C1=NOC(=O)C1
InChIInChI=1S/C4H3NO2/c1-3-2-4(6)7-5-3/h1H,2H2
InChIKeyDJWZMWUJOQKQNF-UHFFFAOYSA-N
XLogP0.00
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.07
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58399060?
The IUPAC name of CID 58399060 (CID 58399060) is not available.
What is the SMILES notation for CID 58399060?
The canonical SMILES for CID 58399060 is [CH]C1=NOC(=O)C1.
What is the InChIKey of CID 58399060?
The InChIKey is DJWZMWUJOQKQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2/c1-3-2-4(6)7-5-3/h1H,2H2.
What are the key properties of CID 58399060?
CID 58399060 has a molecular weight of 97.07 g/mol, XLogP of 0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58399060 is sourced from PubChem (CID 58399060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).