CID 59296118

C6H11BN2O — CID 59296118

IUPAC—
SMILES[B]C(=O)NC1CCNCC1
InChIInChI=1S/C6H11BN2O/c7-6(10)9-5-1-3-8-4-2-5/h5,8H,1-4H2,(H,9,10)
InChIKeyWYGGYPMSQYKMEA-UHFFFAOYSA-N
MW137.98 g/mol
LogP-0.38
Rot. Bonds1

About CID 59296118

CID 59296118 (PubChem CID 59296118) has the molecular formula C6H11BN2O and a molecular weight of 137.98 g/mol.

Molecular Properties

Compound NameCID 59296118
PubChem CID59296118
Molecular FormulaC6H11BN2O
Molecular Weight137.98 g/mol
Exact Mass138.10
IUPAC Name—
SMILES[B]C(=O)NC1CCNCC1
InChIInChI=1S/C6H11BN2O/c7-6(10)9-5-1-3-8-4-2-5/h5,8H,1-4H2,(H,9,10)
InChIKeyWYGGYPMSQYKMEA-UHFFFAOYSA-N
XLogP-0.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.98
LogP ≤ 5-0.38
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 59296118?
The IUPAC name of CID 59296118 (CID 59296118) is not available.
What is the SMILES notation for CID 59296118?
The canonical SMILES for CID 59296118 is [B]C(=O)NC1CCNCC1.
What is the InChIKey of CID 59296118?
The InChIKey is WYGGYPMSQYKMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BN2O/c7-6(10)9-5-1-3-8-4-2-5/h5,8H,1-4H2,(H,9,10).
What are the key properties of CID 59296118?
CID 59296118 has a molecular weight of 137.98 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59296118 is sourced from PubChem (CID 59296118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).