(1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one

C17H21NO2 — CID 124631684

IUPAC(1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H]2[C@H](c3ccccc3)[C@@]12O
InChIInChI=1S/C17H21NO2/c19-16-17(20)14(15(17)12-7-3-1-4-8-12)11-18(16)13-9-5-2-6-10-13/h1,3-4,7-8,13-15,20H,2,5-6,9-11H2/t14-,15+,17-/m1/s1
InChIKeyHNQWZXPSTDVXLQ-HLLBOEOZSA-N
MW271.36 g/mol
LogP2.31
Rot. Bonds2

About (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one

(1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 124631684) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID124631684
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H]2[C@H](c3ccccc3)[C@@]12O
InChIInChI=1S/C17H21NO2/c19-16-17(20)14(15(17)12-7-3-1-4-8-12)11-18(16)13-9-5-2-6-10-13/h1,3-4,7-8,13-15,20H,2,5-6,9-11H2/t14-,15+,17-/m1/s1
InChIKeyHNQWZXPSTDVXLQ-HLLBOEOZSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one (CID 124631684) is (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one is O=C1N(C2CCCCC2)C[C@@H]2[C@H](c3ccccc3)[C@@]12O.
What is the InChIKey of (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is HNQWZXPSTDVXLQ-HLLBOEOZSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16-17(20)14(15(17)12-7-3-1-4-8-12)11-18(16)13-9-5-2-6-10-13/h1,3-4,7-8,13-15,20H,2,5-6,9-11H2/t14-,15+,17-/m1/s1.
What are the key properties of (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
(1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 124631684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).