CID 163251804

C10H11BN — CID 163251804

IUPAC—
SMILESCC(C)c1cncc2c1C=C[B]2
InChIInChI=1S/C10H11BN/c1-7(2)9-5-12-6-10-8(9)3-4-11-10/h3-7H,1-2H3
InChIKeyGMBQNPFSFDUOBS-UHFFFAOYSA-N
MW156.02 g/mol
LogP1.52
Rot. Bonds1

About CID 163251804

CID 163251804 (PubChem CID 163251804) has the molecular formula C10H11BN and a molecular weight of 156.02 g/mol.

Molecular Properties

Compound NameCID 163251804
PubChem CID163251804
Molecular FormulaC10H11BN
Molecular Weight156.02 g/mol
Exact Mass156.10
IUPAC Name—
SMILESCC(C)c1cncc2c1C=C[B]2
InChIInChI=1S/C10H11BN/c1-7(2)9-5-12-6-10-8(9)3-4-11-10/h3-7H,1-2H3
InChIKeyGMBQNPFSFDUOBS-UHFFFAOYSA-N
XLogP1.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.02
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163251804?
The IUPAC name of CID 163251804 (CID 163251804) is not available.
What is the SMILES notation for CID 163251804?
The canonical SMILES for CID 163251804 is CC(C)c1cncc2c1C=C[B]2.
What is the InChIKey of CID 163251804?
The InChIKey is GMBQNPFSFDUOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN/c1-7(2)9-5-12-6-10-8(9)3-4-11-10/h3-7H,1-2H3.
What are the key properties of CID 163251804?
CID 163251804 has a molecular weight of 156.02 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163251804 is sourced from PubChem (CID 163251804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).