(1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one

C12H14N2O — CID 11735828

IUPAC(1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one
SMILESO=C1N[C@H]2C[C@@H](N1)[C@H](c1ccccc1)C2
InChIInChI=1S/C12H14N2O/c15-12-13-9-6-10(11(7-9)14-12)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H2,13,14,15)/t9-,10+,11-/m1/s1
InChIKeyNFWTZWNYCKZYRT-OUAUKWLOSA-N
MW202.26 g/mol
LogP1.61
Rot. Bonds1

About (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one

(1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one (PubChem CID 11735828) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one
PubChem CID11735828
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one
SMILESO=C1N[C@H]2C[C@@H](N1)[C@H](c1ccccc1)C2
InChIInChI=1S/C12H14N2O/c15-12-13-9-6-10(11(7-9)14-12)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H2,13,14,15)/t9-,10+,11-/m1/s1
InChIKeyNFWTZWNYCKZYRT-OUAUKWLOSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane
CID 10197910
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-one
CID 76845400
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 18695843
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
3,5-diphenylthiolan-2-ol
CID 144931057
(1S,2S,4R)-2-phenylbicyclo[2.2.1]heptan-7-one
CID 10607594
[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
CID 100933620
(6S)-5,5-dimethyl-6-phenylpiperidin-2-one
CID 138970238

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one (CID 11735828) is (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one is O=C1N[C@H]2C[C@@H](N1)[C@H](c1ccccc1)C2.
What is the InChIKey of (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one?
The InChIKey is NFWTZWNYCKZYRT-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H14N2O/c15-12-13-9-6-10(11(7-9)14-12)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H2,13,14,15)/t9-,10+,11-/m1/s1.
What are the key properties of (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one?
(1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one has a molecular weight of 202.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-6-phenyl-2,4-diazabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 11735828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).