1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

C11H10ClNO2 — CID 176769269

IUPAC1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2(c3ccc(Cl)cc3)CNC1C2
InChIInChI=1S/C11H10ClNO2/c12-8-3-1-7(2-4-8)11-5-9(13-6-11)10(14)15-11/h1-4,9,13H,5-6H2
InChIKeyXHWFXYVGHRUXNJ-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.45
Rot. Bonds1

About 1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one

1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (PubChem CID 176769269) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
PubChem CID176769269
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1OC2(c3ccc(Cl)cc3)CNC1C2
InChIInChI=1S/C11H10ClNO2/c12-8-3-1-7(2-4-8)11-5-9(13-6-11)10(14)15-11/h1-4,9,13H,5-6H2
InChIKeyXHWFXYVGHRUXNJ-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 176769304
1-(4-chlorophenyl)-2-thia-5-azabicyclo[2.2.1]heptan-3-one
CID 176769251
1-(3,4-dichlorophenyl)-2-thia-5-azabicyclo[2.2.1]heptan-3-one
CID 169149806
3-(4-chlorophenyl)-3-hydroxyazetidin-2-one
CID 169291636
2,2-bis(4-chlorophenyl)cyclobutan-1-one
CID 11197059
5-chloro-N-[4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]phenyl]pyridin-2-amine
CID 118550734
1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide
CID 73033106
2,6-bis(4-chlorophenyl)-3,7-diazatricyclo[4.2.0.02,5]octane-4,8-dione
CID 102521934
(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one
CID 134918786
3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one
CID 10155071
6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione
CID 2916078
6-(4-chlorophenyl)-2,7-dimethyl-4-oxa-6,7-diazaspiro[2.5]octane-5,8-dione
CID 22943990

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one (CID 176769269) is 1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is O=C1OC2(c3ccc(Cl)cc3)CNC1C2.
What is the InChIKey of 1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is XHWFXYVGHRUXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-8-3-1-7(2-4-8)11-5-9(13-6-11)10(14)15-11/h1-4,9,13H,5-6H2.
What are the key properties of 1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one?
1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 223.66 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 176769269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).