4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one

C9H7NO3 — CID 101253932

IUPAC4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one
SMILESO=C1OC2OC2N1c1ccccc1
InChIInChI=1S/C9H7NO3/c11-9-10(7-8(12-7)13-9)6-4-2-1-3-5-6/h1-5,7-8H
InChIKeyIYTZMTGEICEEDC-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.33
Rot. Bonds1

About 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one

4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one (PubChem CID 101253932) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one
PubChem CID101253932
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one
SMILESO=C1OC2OC2N1c1ccccc1
InChIInChI=1S/C9H7NO3/c11-9-10(7-8(12-7)13-9)6-4-2-1-3-5-6/h1-5,7-8H
InChIKeyIYTZMTGEICEEDC-UHFFFAOYSA-N
XLogP1.33
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-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

(1S,7S,8R,12S)-5,10-diphenyl-3-oxa-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-4,9,11-trione
CID 101229388
5-amino-3-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
CID 115038863
4-nitro-3-phenyl-1,3-oxazolidin-2-one
CID 54515958
2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
CID 561921
4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 162787664
5-(2-hydroxyethyl)-3-phenyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 150594784
1,3-diphenylbenzimidazol-2-one
CID 22323486
3-methyl-4-phenyl-3H-1,2,4-triazol-5-one
CID 86255642
(4S)-4-ethenyl-3-phenyl-1,3-oxazolidin-2-one
CID 129362731
ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium
CID 59326622
(5S)-1,3,5-triphenylimidazolidine-2,4-dione
CID 154708380
2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid
CID 83849659

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one?
The IUPAC name of 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one (CID 101253932) is 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one is O=C1OC2OC2N1c1ccccc1.
What is the InChIKey of 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one?
The InChIKey is IYTZMTGEICEEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-9-10(7-8(12-7)13-9)6-4-2-1-3-5-6/h1-5,7-8H.
What are the key properties of 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one?
4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one has a molecular weight of 177.16 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 101253932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).