CID 23523912

C5H11BN — CID 23523912

IUPAC—
SMILESC[B]N1CCCC1
InChIInChI=1S/C5H11BN/c1-6-7-4-2-3-5-7/h2-5H2,1H3
InChIKeyOEYFYKOUCTVIBH-UHFFFAOYSA-N
MW95.96 g/mol
LogP0.75
Rot. Bonds1

About CID 23523912

CID 23523912 (PubChem CID 23523912) has the molecular formula C5H11BN and a molecular weight of 95.96 g/mol.

Molecular Properties

Compound NameCID 23523912
PubChem CID23523912
Molecular FormulaC5H11BN
Molecular Weight95.96 g/mol
Exact Mass96.10
IUPAC Name—
SMILESC[B]N1CCCC1
InChIInChI=1S/C5H11BN/c1-6-7-4-2-3-5-7/h2-5H2,1H3
InChIKeyOEYFYKOUCTVIBH-UHFFFAOYSA-N
XLogP0.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.96
LogP ≤ 50.75
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 23523912?
The IUPAC name of CID 23523912 (CID 23523912) is not available.
What is the SMILES notation for CID 23523912?
The canonical SMILES for CID 23523912 is C[B]N1CCCC1.
What is the InChIKey of CID 23523912?
The InChIKey is OEYFYKOUCTVIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BN/c1-6-7-4-2-3-5-7/h2-5H2,1H3.
What are the key properties of CID 23523912?
CID 23523912 has a molecular weight of 95.96 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23523912 is sourced from PubChem (CID 23523912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).