(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H9NO2 — CID 135285970

IUPAC(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1NC(=O)[C@H]2C(c3ccccc3)[C@@H]12
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)/t7?,8-,9+
InChIKeyHULYHMGWKHAGBN-CBLAIPOGSA-N
MW187.20 g/mol
LogP0.67
Rot. Bonds1

About (1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 135285970) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID135285970
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1NC(=O)[C@H]2C(c3ccccc3)[C@@H]12
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)/t7?,8-,9+
InChIKeyHULYHMGWKHAGBN-CBLAIPOGSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of (1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 135285970) is (1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for (1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for (1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1NC(=O)[C@H]2C(c3ccccc3)[C@@H]12.
What is the InChIKey of (1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is HULYHMGWKHAGBN-CBLAIPOGSA-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)/t7?,8-,9+.
What are the key properties of (1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
(1S,5R)-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 (1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 135285970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).