CID 90328326

C6H11BNO2 — CID 90328326

IUPAC—
SMILESO=C[B]N1CC[C@H](CO)C1
InChIInChI=1S/C6H11BNO2/c9-4-6-1-2-8(3-6)7-5-10/h5-6,9H,1-4H2/t6-/m0/s1
InChIKeyMUAWLONOCGZZRS-LURJTMIESA-N
MW139.97 g/mol
LogP-0.89
Rot. Bonds3

About CID 90328326

CID 90328326 (PubChem CID 90328326) has the molecular formula C6H11BNO2 and a molecular weight of 139.97 g/mol.

Molecular Properties

Compound NameCID 90328326
PubChem CID90328326
Molecular FormulaC6H11BNO2
Molecular Weight139.97 g/mol
Exact Mass140.09
IUPAC Name—
SMILESO=C[B]N1CC[C@H](CO)C1
InChIInChI=1S/C6H11BNO2/c9-4-6-1-2-8(3-6)7-5-10/h5-6,9H,1-4H2/t6-/m0/s1
InChIKeyMUAWLONOCGZZRS-LURJTMIESA-N
XLogP-0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.97
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90328326?
The IUPAC name of CID 90328326 (CID 90328326) is not available.
What is the SMILES notation for CID 90328326?
The canonical SMILES for CID 90328326 is O=C[B]N1CC[C@H](CO)C1.
What is the InChIKey of CID 90328326?
The InChIKey is MUAWLONOCGZZRS-LURJTMIESA-N. The full InChI is InChI=1S/C6H11BNO2/c9-4-6-1-2-8(3-6)7-5-10/h5-6,9H,1-4H2/t6-/m0/s1.
What are the key properties of CID 90328326?
CID 90328326 has a molecular weight of 139.97 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90328326 is sourced from PubChem (CID 90328326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).