CID 88930738

C6H11BN2O — CID 88930738

IUPAC—
SMILES[B]N1CCCC(C(N)=O)C1
InChIInChI=1S/C6H11BN2O/c7-9-3-1-2-5(4-9)6(8)10/h5H,1-4H2,(H2,8,10)
InChIKeyGCHAJTZDOMOORN-UHFFFAOYSA-N
MW137.98 g/mol
LogP-0.73
Rot. Bonds1

About CID 88930738

CID 88930738 (PubChem CID 88930738) has the molecular formula C6H11BN2O and a molecular weight of 137.98 g/mol.

Molecular Properties

Compound NameCID 88930738
PubChem CID88930738
Molecular FormulaC6H11BN2O
Molecular Weight137.98 g/mol
Exact Mass138.10
IUPAC Name—
SMILES[B]N1CCCC(C(N)=O)C1
InChIInChI=1S/C6H11BN2O/c7-9-3-1-2-5(4-9)6(8)10/h5H,1-4H2,(H2,8,10)
InChIKeyGCHAJTZDOMOORN-UHFFFAOYSA-N
XLogP-0.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.98
LogP ≤ 5-0.73
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

CID 89024424
CID 89024424
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
1-methanidylpiperidine-3-carboxamide
CID 23545608
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
1-aminophosphanylpiperidine-3-carboxamide;methane
CID 142847668
1-tert-butylpiperidine-3-carboxamide
CID 59656300
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-[(E)-C-aminocarbonohydrazonoyl]piperidine-3-carboxamide
CID 126972262
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029

Frequently Asked Questions

What is the IUPAC name of CID 88930738?
The IUPAC name of CID 88930738 (CID 88930738) is not available.
What is the SMILES notation for CID 88930738?
The canonical SMILES for CID 88930738 is [B]N1CCCC(C(N)=O)C1.
What is the InChIKey of CID 88930738?
The InChIKey is GCHAJTZDOMOORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BN2O/c7-9-3-1-2-5(4-9)6(8)10/h5H,1-4H2,(H2,8,10).
What are the key properties of CID 88930738?
CID 88930738 has a molecular weight of 137.98 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88930738 is sourced from PubChem (CID 88930738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).