6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H9NO2 — CID 140892299

IUPAC6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1NC(=O)C2C1C2c1ccccc1
InChIInChI=1S/C11H9NO2/c13-10-8-7(9(8)11(14)12-10)6-4-2-1-3-5-6/h1-5,7-9H,(H,12,13,14)
InChIKeyHULYHMGWKHAGBN-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.67
Rot. Bonds1

About 6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 140892299) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID140892299
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1NC(=O)C2C1C2c1ccccc1
InChIInChI=1S/C11H9NO2/c13-10-8-7(9(8)11(14)12-10)6-4-2-1-3-5-6/h1-5,7-9H,(H,12,13,14)
InChIKeyHULYHMGWKHAGBN-UHFFFAOYSA-N
XLogP0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 135285970
(1S,2R,3S,7R,8S,9R,10R,14R)-15-phenylsulfanyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
CID 23265151
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 805159
(3R,4S)-3-bromo-4-phenylpyrrolidine-2,5-dione
CID 99563949
(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
(3aR,6aS)-5-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 67757259
(3R,3aS,6aR)-2,3-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 1384542
(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
CID 15432500
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione
CID 14796237

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 140892299) is 6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1NC(=O)C2C1C2c1ccccc1.
What is the InChIKey of 6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is HULYHMGWKHAGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-10-8-7(9(8)11(14)12-10)6-4-2-1-3-5-6/h1-5,7-9H,(H,12,13,14).
What are the key properties of 6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 187.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 140892299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).