CID 58970151

C8H16BN2O — CID 58970151

IUPAC—
SMILESC[B]N1CCCC(NC(C)=O)C1
InChIInChI=1S/C8H16BN2O/c1-7(12)10-8-4-3-5-11(6-8)9-2/h8H,3-6H2,1-2H3,(H,10,12)
InChIKeyUEIXKTCJFZJOSH-UHFFFAOYSA-N
MW167.04 g/mol
LogP0.25
Rot. Bonds2

About CID 58970151

CID 58970151 (PubChem CID 58970151) has the molecular formula C8H16BN2O and a molecular weight of 167.04 g/mol.

Molecular Properties

Compound NameCID 58970151
PubChem CID58970151
Molecular FormulaC8H16BN2O
Molecular Weight167.04 g/mol
Exact Mass167.14
IUPAC Name—
SMILESC[B]N1CCCC(NC(C)=O)C1
InChIInChI=1S/C8H16BN2O/c1-7(12)10-8-4-3-5-11(6-8)9-2/h8H,3-6H2,1-2H3,(H,10,12)
InChIKeyUEIXKTCJFZJOSH-UHFFFAOYSA-N
XLogP0.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.04
LogP ≤ 50.25
H-Bond Donors ≤ 51
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 58970151?
The IUPAC name of CID 58970151 (CID 58970151) is not available.
What is the SMILES notation for CID 58970151?
The canonical SMILES for CID 58970151 is C[B]N1CCCC(NC(C)=O)C1.
What is the InChIKey of CID 58970151?
The InChIKey is UEIXKTCJFZJOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BN2O/c1-7(12)10-8-4-3-5-11(6-8)9-2/h8H,3-6H2,1-2H3,(H,10,12).
What are the key properties of CID 58970151?
CID 58970151 has a molecular weight of 167.04 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58970151 is sourced from PubChem (CID 58970151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).