CID 138965507

C14H12NO2 — CID 138965507

IUPAC—
SMILESC#CC[C@H]1[CH]C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H12NO2/c1-2-6-12-9-13(16)15(14(12)17)10-11-7-4-3-5-8-11/h1,3-5,7-9,12H,6,10H2/t12-/m0/s1
InChIKeyZKXYVOVMVHXGOW-LBPRGKRZSA-N
MW226.26 g/mol
LogP1.40
Rot. Bonds3

About CID 138965507

CID 138965507 (PubChem CID 138965507) has the molecular formula C14H12NO2 and a molecular weight of 226.26 g/mol.

Molecular Properties

Compound NameCID 138965507
PubChem CID138965507
Molecular FormulaC14H12NO2
Molecular Weight226.26 g/mol
Exact Mass226.09
IUPAC Name—
SMILESC#CC[C@H]1[CH]C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H12NO2/c1-2-6-12-9-13(16)15(14(12)17)10-11-7-4-3-5-8-11/h1,3-5,7-9,12H,6,10H2/t12-/m0/s1
InChIKeyZKXYVOVMVHXGOW-LBPRGKRZSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 138965507 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 138965507?
The IUPAC name of CID 138965507 (CID 138965507) is not available.
What is the SMILES notation for CID 138965507?
The canonical SMILES for CID 138965507 is C#CC[C@H]1[CH]C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of CID 138965507?
The InChIKey is ZKXYVOVMVHXGOW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12NO2/c1-2-6-12-9-13(16)15(14(12)17)10-11-7-4-3-5-8-11/h1,3-5,7-9,12H,6,10H2/t12-/m0/s1.
What are the key properties of CID 138965507?
CID 138965507 has a molecular weight of 226.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138965507 is sourced from PubChem (CID 138965507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).