CID 134893052

C9H7NO2 — CID 134893052

IUPAC—
SMILESO=C(O)[C]/C=N/c1ccccc1
InChIInChI=1S/C9H7NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h1-5,7H,(H,11,12)/b10-7+
InChIKeyGFUINOIMSWXEMQ-JXMROGBWSA-N
MW161.16 g/mol
LogP1.55
Rot. Bonds3

About CID 134893052

CID 134893052 (PubChem CID 134893052) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol.

Molecular Properties

Compound NameCID 134893052
PubChem CID134893052
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name—
SMILESO=C(O)[C]/C=N/c1ccccc1
InChIInChI=1S/C9H7NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h1-5,7H,(H,11,12)/b10-7+
InChIKeyGFUINOIMSWXEMQ-JXMROGBWSA-N
XLogP1.55
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134893052?
The IUPAC name of CID 134893052 (CID 134893052) is not available.
What is the SMILES notation for CID 134893052?
The canonical SMILES for CID 134893052 is O=C(O)[C]/C=N/c1ccccc1.
What is the InChIKey of CID 134893052?
The InChIKey is GFUINOIMSWXEMQ-JXMROGBWSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h1-5,7H,(H,11,12)/b10-7+.
What are the key properties of CID 134893052?
CID 134893052 has a molecular weight of 161.16 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134893052 is sourced from PubChem (CID 134893052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).