CID 156803365

C6H9B2NO — CID 156803365

IUPAC—
SMILES[B]C1([B])CCCC(N)C1=O
InChIInChI=1S/C6H9B2NO/c7-6(8)3-1-2-4(9)5(6)10/h4H,1-3,9H2
InChIKeyKPJYBZOXXZOHGF-UHFFFAOYSA-N
MW132.77 g/mol
LogP-0.48
Rot. Bonds

About CID 156803365

CID 156803365 (PubChem CID 156803365) has the molecular formula C6H9B2NO and a molecular weight of 132.77 g/mol.

Molecular Properties

Compound NameCID 156803365
PubChem CID156803365
Molecular FormulaC6H9B2NO
Molecular Weight132.77 g/mol
Exact Mass133.09
IUPAC Name—
SMILES[B]C1([B])CCCC(N)C1=O
InChIInChI=1S/C6H9B2NO/c7-6(8)3-1-2-4(9)5(6)10/h4H,1-3,9H2
InChIKeyKPJYBZOXXZOHGF-UHFFFAOYSA-N
XLogP-0.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.77
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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(2-amino-1-methylcyclopentyl)carbamic acid
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5-amino-7,7-dimethyloxepane-2,6-dione
CID 118241040
3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid
CID 67284908
(3aS,7aR)-4-oxo-2,3,5,6,7,7a-hexahydro-1H-indene-3a-carbonitrile
CID 131209173
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126
3-aminoazepan-2-one;nickel
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(3S)-3-amino-1-hydroxyazepan-2-one
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(4R)-spiro[4.4]nonane-4,9-diamine
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Frequently Asked Questions

What is the IUPAC name of CID 156803365?
The IUPAC name of CID 156803365 (CID 156803365) is not available.
What is the SMILES notation for CID 156803365?
The canonical SMILES for CID 156803365 is [B]C1([B])CCCC(N)C1=O.
What is the InChIKey of CID 156803365?
The InChIKey is KPJYBZOXXZOHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9B2NO/c7-6(8)3-1-2-4(9)5(6)10/h4H,1-3,9H2.
What are the key properties of CID 156803365?
CID 156803365 has a molecular weight of 132.77 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156803365 is sourced from PubChem (CID 156803365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).