CID 134858686

C15H11N2O — CID 134858686

IUPAC—
SMILES[N]=C1c2ccccc2CN1C(=O)c1ccccc1
InChIInChI=1S/C15H11N2O/c16-14-13-9-5-4-8-12(13)10-17(14)15(18)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyMJIVYNPXEUDHHR-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.89
Rot. Bonds1

About CID 134858686

CID 134858686 (PubChem CID 134858686) has the molecular formula C15H11N2O and a molecular weight of 235.27 g/mol.

Molecular Properties

Compound NameCID 134858686
PubChem CID134858686
Molecular FormulaC15H11N2O
Molecular Weight235.27 g/mol
Exact Mass235.09
IUPAC Name—
SMILES[N]=C1c2ccccc2CN1C(=O)c1ccccc1
InChIInChI=1S/C15H11N2O/c16-14-13-9-5-4-8-12(13)10-17(14)15(18)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyMJIVYNPXEUDHHR-UHFFFAOYSA-N
XLogP1.89
TPSA42.61 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 134858686?
The IUPAC name of CID 134858686 (CID 134858686) is not available.
What is the SMILES notation for CID 134858686?
The canonical SMILES for CID 134858686 is [N]=C1c2ccccc2CN1C(=O)c1ccccc1.
What is the InChIKey of CID 134858686?
The InChIKey is MJIVYNPXEUDHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2O/c16-14-13-9-5-4-8-12(13)10-17(14)15(18)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of CID 134858686?
CID 134858686 has a molecular weight of 235.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134858686 is sourced from PubChem (CID 134858686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).