CID 58938230

C5H11BN2 — CID 58938230

IUPAC—
SMILES[B]NC1CCNCC1
InChIInChI=1S/C5H11BN2/c6-8-5-1-3-7-4-2-5/h5,7-8H,1-4H2
InChIKeyYLXNVFGAQVKKBH-UHFFFAOYSA-N
MW109.97 g/mol
LogP-0.59
Rot. Bonds1

About CID 58938230

CID 58938230 (PubChem CID 58938230) has the molecular formula C5H11BN2 and a molecular weight of 109.97 g/mol.

Molecular Properties

Compound NameCID 58938230
PubChem CID58938230
Molecular FormulaC5H11BN2
Molecular Weight109.97 g/mol
Exact Mass110.10
IUPAC Name—
SMILES[B]NC1CCNCC1
InChIInChI=1S/C5H11BN2/c6-8-5-1-3-7-4-2-5/h5,7-8H,1-4H2
InChIKeyYLXNVFGAQVKKBH-UHFFFAOYSA-N
XLogP-0.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.97
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 58938230?
The IUPAC name of CID 58938230 (CID 58938230) is not available.
What is the SMILES notation for CID 58938230?
The canonical SMILES for CID 58938230 is [B]NC1CCNCC1.
What is the InChIKey of CID 58938230?
The InChIKey is YLXNVFGAQVKKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BN2/c6-8-5-1-3-7-4-2-5/h5,7-8H,1-4H2.
What are the key properties of CID 58938230?
CID 58938230 has a molecular weight of 109.97 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58938230 is sourced from PubChem (CID 58938230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).