(1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one

C15H19NO — CID 125485637

IUPAC(1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one
SMILESCN1CCC[C@@]2(c3ccccc3)CC[C@H]1C2=O
InChIInChI=1S/C15H19NO/c1-16-11-5-9-15(10-8-13(16)14(15)17)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-,15-/m0/s1
InChIKeyVHRXLSCPCKWPRR-ZFWWWQNUSA-N
MW229.32 g/mol
LogP2.38
Rot. Bonds1

About (1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one

(1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one (PubChem CID 125485637) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one.

Molecular Properties

Compound Name(1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one
PubChem CID125485637
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one
SMILESCN1CCC[C@@]2(c3ccccc3)CC[C@H]1C2=O
InChIInChI=1S/C15H19NO/c1-16-11-5-9-15(10-8-13(16)14(15)17)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-,15-/m0/s1
InChIKeyVHRXLSCPCKWPRR-ZFWWWQNUSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one?
The IUPAC name of (1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one (CID 125485637) is (1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one.
What is the SMILES notation for (1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one?
The canonical SMILES for (1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one is CN1CCC[C@@]2(c3ccccc3)CC[C@H]1C2=O.
What is the InChIKey of (1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one?
The InChIKey is VHRXLSCPCKWPRR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H19NO/c1-16-11-5-9-15(10-8-13(16)14(15)17)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3/t13-,15-/m0/s1.
What are the key properties of (1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one?
(1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one has a molecular weight of 229.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-2-methyl-6-phenyl-2-azabicyclo[4.2.1]nonan-9-one is sourced from PubChem (CID 125485637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).