CID 58530124

C8H15BNO — CID 58530124

IUPAC—
SMILESO=C[B]CCC1CCCCN1
InChIInChI=1S/C8H15BNO/c11-7-9-5-4-8-3-1-2-6-10-8/h7-8,10H,1-6H2
InChIKeyYPXSPLQARCVWFI-UHFFFAOYSA-N
MW152.03 g/mol
LogP0.83
Rot. Bonds4

About CID 58530124

CID 58530124 (PubChem CID 58530124) has the molecular formula C8H15BNO and a molecular weight of 152.03 g/mol.

Molecular Properties

Compound NameCID 58530124
PubChem CID58530124
Molecular FormulaC8H15BNO
Molecular Weight152.03 g/mol
Exact Mass152.12
IUPAC Name—
SMILESO=C[B]CCC1CCCCN1
InChIInChI=1S/C8H15BNO/c11-7-9-5-4-8-3-1-2-6-10-8/h7-8,10H,1-6H2
InChIKeyYPXSPLQARCVWFI-UHFFFAOYSA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.03
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 58530124 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 58530124?
The IUPAC name of CID 58530124 (CID 58530124) is not available.
What is the SMILES notation for CID 58530124?
The canonical SMILES for CID 58530124 is O=C[B]CCC1CCCCN1.
What is the InChIKey of CID 58530124?
The InChIKey is YPXSPLQARCVWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BNO/c11-7-9-5-4-8-3-1-2-6-10-8/h7-8,10H,1-6H2.
What are the key properties of CID 58530124?
CID 58530124 has a molecular weight of 152.03 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58530124 is sourced from PubChem (CID 58530124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).