CID 89095376

C10H11BN2O — CID 89095376

IUPAC—
SMILES[B]c1nnc(/C(C=C)=C/C=C(C)C)o1
InChIInChI=1S/C10H11BN2O/c1-4-8(6-5-7(2)3)9-12-13-10(11)14-9/h4-6H,1H2,2-3H3/b8-6+
InChIKeyONPVDLCRHQTLBQ-SOFGYWHQSA-N
MW186.02 g/mol
LogP1.40
Rot. Bonds3

About CID 89095376

CID 89095376 (PubChem CID 89095376) has the molecular formula C10H11BN2O and a molecular weight of 186.02 g/mol.

Molecular Properties

Compound NameCID 89095376
PubChem CID89095376
Molecular FormulaC10H11BN2O
Molecular Weight186.02 g/mol
Exact Mass186.10
IUPAC Name—
SMILES[B]c1nnc(/C(C=C)=C/C=C(C)C)o1
InChIInChI=1S/C10H11BN2O/c1-4-8(6-5-7(2)3)9-12-13-10(11)14-9/h4-6H,1H2,2-3H3/b8-6+
InChIKeyONPVDLCRHQTLBQ-SOFGYWHQSA-N
XLogP1.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.02
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 89095376 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 89095376?
The IUPAC name of CID 89095376 (CID 89095376) is not available.
What is the SMILES notation for CID 89095376?
The canonical SMILES for CID 89095376 is [B]c1nnc(/C(C=C)=C/C=C(C)C)o1.
What is the InChIKey of CID 89095376?
The InChIKey is ONPVDLCRHQTLBQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H11BN2O/c1-4-8(6-5-7(2)3)9-12-13-10(11)14-9/h4-6H,1H2,2-3H3/b8-6+.
What are the key properties of CID 89095376?
CID 89095376 has a molecular weight of 186.02 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89095376 is sourced from PubChem (CID 89095376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).