(1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione

C14H15NO2 — CID 101481235

IUPAC(1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione
SMILESO=C1[C@@H]2CCC[C@@H](C2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H15NO2/c16-13-10-5-4-6-11(9-10)14(17)15(13)12-7-2-1-3-8-12/h1-3,7-8,10-11H,4-6,9H2/t10-,11+
InChIKeyVVNPTOQNVVAQDK-PHIMTYICSA-N
MW229.28 g/mol
LogP2.37
Rot. Bonds1

About (1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione

(1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione (PubChem CID 101481235) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione.

Molecular Properties

Compound Name(1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione
PubChem CID101481235
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione
SMILESO=C1[C@@H]2CCC[C@@H](C2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H15NO2/c16-13-10-5-4-6-11(9-10)14(17)15(13)12-7-2-1-3-8-12/h1-3,7-8,10-11H,4-6,9H2/t10-,11+
InChIKeyVVNPTOQNVVAQDK-PHIMTYICSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 548819
16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
CID 102335192
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CID 11862907
(3aR,5S,6R,7aS)-5,6-dibromo-2-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98120036
3-[3-(hydroxymethyl)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552285
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CID 14666787
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
(E)-3-[3-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)phenyl]prop-2-enoic acid
CID 103551548
3-[4-(2-hydroxyethyl)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552288
ethane;4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 91323879
(1R,2S,6R,7R,8S,10S)-4-phenyl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98119781

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione?
The IUPAC name of (1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione (CID 101481235) is (1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione.
What is the SMILES notation for (1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione?
The canonical SMILES for (1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione is O=C1[C@@H]2CCC[C@@H](C2)C(=O)N1c1ccccc1.
What is the InChIKey of (1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione?
The InChIKey is VVNPTOQNVVAQDK-PHIMTYICSA-N. The full InChI is InChI=1S/C14H15NO2/c16-13-10-5-4-6-11(9-10)14(17)15(13)12-7-2-1-3-8-12/h1-3,7-8,10-11H,4-6,9H2/t10-,11+.
What are the key properties of (1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione?
(1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione has a molecular weight of 229.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione is sourced from PubChem (CID 101481235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).