CID 140795215

C5H9BN2 — CID 140795215

IUPAC—
SMILES[H]/N=C([B])/C=C\NCC
InChIInChI=1S/C5H9BN2/c1-2-8-4-3-5(6)7/h3-4,7-8H,2H2,1H3/b4-3-,7-5-
InChIKeyCNUWMYIUSNAQIY-MRWCJKGFSA-N
MW107.95 g/mol
LogP0.26
Rot. Bonds3

About CID 140795215

CID 140795215 (PubChem CID 140795215) has the molecular formula C5H9BN2 and a molecular weight of 107.95 g/mol.

Molecular Properties

Compound NameCID 140795215
PubChem CID140795215
Molecular FormulaC5H9BN2
Molecular Weight107.95 g/mol
Exact Mass108.09
IUPAC Name—
SMILES[H]/N=C([B])/C=C\NCC
InChIInChI=1S/C5H9BN2/c1-2-8-4-3-5(6)7/h3-4,7-8H,2H2,1H3/b4-3-,7-5-
InChIKeyCNUWMYIUSNAQIY-MRWCJKGFSA-N
XLogP0.26
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.95
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 140795215 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 140795215?
The IUPAC name of CID 140795215 (CID 140795215) is not available.
What is the SMILES notation for CID 140795215?
The canonical SMILES for CID 140795215 is [H]/N=C([B])/C=C\NCC.
What is the InChIKey of CID 140795215?
The InChIKey is CNUWMYIUSNAQIY-MRWCJKGFSA-N. The full InChI is InChI=1S/C5H9BN2/c1-2-8-4-3-5(6)7/h3-4,7-8H,2H2,1H3/b4-3-,7-5-.
What are the key properties of CID 140795215?
CID 140795215 has a molecular weight of 107.95 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140795215 is sourced from PubChem (CID 140795215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).