CID 134863341

C11H14NO — CID 134863341

IUPAC—
SMILESC[C](C)C/C(=N\O)c1ccccc1
InChIInChI=1S/C11H14NO/c1-9(2)8-11(12-13)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3/b12-11+
InChIKeyFADCIABNXYGBNO-VAWYXSNFSA-N
MW176.24 g/mol
LogP2.87
Rot. Bonds3

About CID 134863341

CID 134863341 (PubChem CID 134863341) has the molecular formula C11H14NO and a molecular weight of 176.24 g/mol.

Molecular Properties

Compound NameCID 134863341
PubChem CID134863341
Molecular FormulaC11H14NO
Molecular Weight176.24 g/mol
Exact Mass176.11
IUPAC Name—
SMILESC[C](C)C/C(=N\O)c1ccccc1
InChIInChI=1S/C11H14NO/c1-9(2)8-11(12-13)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3/b12-11+
InChIKeyFADCIABNXYGBNO-VAWYXSNFSA-N
XLogP2.87
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 CID 134863341 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 CID 134863341?
The IUPAC name of CID 134863341 (CID 134863341) is not available.
What is the SMILES notation for CID 134863341?
The canonical SMILES for CID 134863341 is C[C](C)C/C(=N\O)c1ccccc1.
What is the InChIKey of CID 134863341?
The InChIKey is FADCIABNXYGBNO-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H14NO/c1-9(2)8-11(12-13)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3/b12-11+.
What are the key properties of CID 134863341?
CID 134863341 has a molecular weight of 176.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134863341 is sourced from PubChem (CID 134863341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).