(5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol

C14H19NO — CID 171767911

IUPAC(5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol
SMILESC[C@H]1CCCN2C[C@](O)(c3ccccc3)[C@@H]12
InChIInChI=1S/C14H19NO/c1-11-6-5-9-15-10-14(16,13(11)15)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3/t11-,13+,14-/m0/s1
InChIKeyODNCJSDZAPPYNZ-YUTCNCBUSA-N
MW217.31 g/mol
LogP1.99
Rot. Bonds1

About (5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol

(5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol (PubChem CID 171767911) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol.

Molecular Properties

Compound Name(5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol
PubChem CID171767911
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol
SMILESC[C@H]1CCCN2C[C@](O)(c3ccccc3)[C@@H]12
InChIInChI=1S/C14H19NO/c1-11-6-5-9-15-10-14(16,13(11)15)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3/t11-,13+,14-/m0/s1
InChIKeyODNCJSDZAPPYNZ-YUTCNCBUSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol?
The IUPAC name of (5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol (CID 171767911) is (5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol.
What is the SMILES notation for (5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol?
The canonical SMILES for (5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol is C[C@H]1CCCN2C[C@](O)(c3ccccc3)[C@@H]12.
What is the InChIKey of (5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol?
The InChIKey is ODNCJSDZAPPYNZ-YUTCNCBUSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-5-9-15-10-14(16,13(11)15)12-7-3-2-4-8-12/h2-4,7-8,11,13,16H,5-6,9-10H2,1H3/t11-,13+,14-/m0/s1.
What are the key properties of (5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol?
(5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol has a molecular weight of 217.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7R)-5-methyl-7-phenyl-1-azabicyclo[4.2.0]octan-7-ol is sourced from PubChem (CID 171767911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).