1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol

C16H15NO — CID 162406366

IUPAC1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)C12CN1C2
InChIInChI=1S/C16H15NO/c18-16(15-11-17(15)12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,18H,11-12H2
InChIKeyFLJMTRUQUMFUHG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds3

About 1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol

1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol (PubChem CID 162406366) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol.

Molecular Properties

Compound Name1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol
PubChem CID162406366
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)C12CN1C2
InChIInChI=1S/C16H15NO/c18-16(15-11-17(15)12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,18H,11-12H2
InChIKeyFLJMTRUQUMFUHG-UHFFFAOYSA-N
XLogP1.99
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol?
The IUPAC name of 1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol (CID 162406366) is 1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol.
What is the SMILES notation for 1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol?
The canonical SMILES for 1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol is OC(c1ccccc1)(c1ccccc1)C12CN1C2.
What is the InChIKey of 1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol?
The InChIKey is FLJMTRUQUMFUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16(15-11-17(15)12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,18H,11-12H2.
What are the key properties of 1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol?
1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol has a molecular weight of 237.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[1.1.0]butan-3-yl(diphenyl)methanol is sourced from PubChem (CID 162406366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).