2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol

C9H16BNO — CID 174062555

IUPAC2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol
SMILESC=BN1CC2(CCC(O)CC2)C1
InChIInChI=1S/C9H16BNO/c1-10-11-6-9(7-11)4-2-8(12)3-5-9/h8,12H,1-7H2
InChIKeyVEYRITBHMPAEMI-UHFFFAOYSA-N
MW165.05 g/mol
LogP0.27
Rot. Bonds1

About 2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol

2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol (PubChem CID 174062555) has the molecular formula C9H16BNO and a molecular weight of 165.05 g/mol. Its IUPAC name is 2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol.

Molecular Properties

Compound Name2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol
PubChem CID174062555
Molecular FormulaC9H16BNO
Molecular Weight165.05 g/mol
Exact Mass165.13
IUPAC Name2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol
SMILESC=BN1CC2(CCC(O)CC2)C1
InChIInChI=1S/C9H16BNO/c1-10-11-6-9(7-11)4-2-8(12)3-5-9/h8,12H,1-7H2
InChIKeyVEYRITBHMPAEMI-UHFFFAOYSA-N
XLogP0.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.05
LogP ≤ 50.27
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 2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol?
The IUPAC name of 2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol (CID 174062555) is 2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol.
What is the SMILES notation for 2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol?
The canonical SMILES for 2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol is C=BN1CC2(CCC(O)CC2)C1.
What is the InChIKey of 2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol?
The InChIKey is VEYRITBHMPAEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BNO/c1-10-11-6-9(7-11)4-2-8(12)3-5-9/h8,12H,1-7H2.
What are the key properties of 2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol?
2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol has a molecular weight of 165.05 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneboranyl-2-azaspiro[3.5]nonan-7-ol is sourced from PubChem (CID 174062555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).