CID 174007521

C5H11BN2 — CID 174007521

IUPAC—
SMILES[B]C/C(C)=N/N(C)C
InChIInChI=1S/C5H11BN2/c1-5(4-6)7-8(2)3/h4H2,1-3H3/b7-5+
InChIKeyGUSCCRHIKILUOQ-FNORWQNLSA-N
MW109.97 g/mol
LogP0.51
Rot. Bonds2

About CID 174007521

CID 174007521 (PubChem CID 174007521) has the molecular formula C5H11BN2 and a molecular weight of 109.97 g/mol.

Molecular Properties

Compound NameCID 174007521
PubChem CID174007521
Molecular FormulaC5H11BN2
Molecular Weight109.97 g/mol
Exact Mass110.10
IUPAC Name—
SMILES[B]C/C(C)=N/N(C)C
InChIInChI=1S/C5H11BN2/c1-5(4-6)7-8(2)3/h4H2,1-3H3/b7-5+
InChIKeyGUSCCRHIKILUOQ-FNORWQNLSA-N
XLogP0.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.97
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 174007521 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 174007521?
The IUPAC name of CID 174007521 (CID 174007521) is not available.
What is the SMILES notation for CID 174007521?
The canonical SMILES for CID 174007521 is [B]C/C(C)=N/N(C)C.
What is the InChIKey of CID 174007521?
The InChIKey is GUSCCRHIKILUOQ-FNORWQNLSA-N. The full InChI is InChI=1S/C5H11BN2/c1-5(4-6)7-8(2)3/h4H2,1-3H3/b7-5+.
What are the key properties of CID 174007521?
CID 174007521 has a molecular weight of 109.97 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174007521 is sourced from PubChem (CID 174007521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).