5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one

C13H14ClNO — CID 84797846

IUPAC5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one
SMILESO=C1NCC2(c3ccccc3Cl)CCC1C2
InChIInChI=1S/C13H14ClNO/c14-11-4-2-1-3-10(11)13-6-5-9(7-13)12(16)15-8-13/h1-4,9H,5-8H2,(H,15,16)
InChIKeyIFVRQSSBXLXHMX-UHFFFAOYSA-N
MW235.71 g/mol
LogP2.51
Rot. Bonds1

About 5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one

5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one (PubChem CID 84797846) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one
PubChem CID84797846
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one
SMILESO=C1NCC2(c3ccccc3Cl)CCC1C2
InChIInChI=1S/C13H14ClNO/c14-11-4-2-1-3-10(11)13-6-5-9(7-13)12(16)15-8-13/h1-4,9H,5-8H2,(H,15,16)
InChIKeyIFVRQSSBXLXHMX-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one
CID 84788394
5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one
CID 84786708
5-[(3-chlorophenyl)methyl]-3-azabicyclo[3.1.1]heptan-2-one
CID 84797845
4-(2-chlorophenyl)-4-methylpyrrolidin-2-one
CID 66108466
fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
CID 166106506
3-(2-chlorophenyl)-3-ethylazetidin-2-one
CID 130010496
1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane
CID 115063816
1-(2-chlorophenyl)-2-methylcyclobutan-1-amine
CID 66431566
5-chlorospiro[2,3-dihydroisoquinoline-4,1'-cyclohexane]-1-one
CID 82131386
5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 84804165
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
(1R,4S)-1-(2-chlorophenyl)-4-propan-2-ylbicyclo[3.1.0]hexane
CID 140883960

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of 5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one (CID 84797846) is 5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one is O=C1NCC2(c3ccccc3Cl)CCC1C2.
What is the InChIKey of 5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one?
The InChIKey is IFVRQSSBXLXHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-11-4-2-1-3-10(11)13-6-5-9(7-13)12(16)15-8-13/h1-4,9H,5-8H2,(H,15,16).
What are the key properties of 5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one?
5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one has a molecular weight of 235.71 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 84797846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).