5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one

C12H12ClNO — CID 84788394

IUPAC5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one
SMILESO=C1NCC2(c3ccccc3Cl)CCC12
InChIInChI=1S/C12H12ClNO/c13-10-4-2-1-3-8(10)12-6-5-9(12)11(15)14-7-12/h1-4,9H,5-7H2,(H,14,15)
InChIKeyRTAWXHHEPCSGBJ-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.12
Rot. Bonds1

About 5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one

5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one (PubChem CID 84788394) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one
PubChem CID84788394
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one
SMILESO=C1NCC2(c3ccccc3Cl)CCC12
InChIInChI=1S/C12H12ClNO/c13-10-4-2-1-3-8(10)12-6-5-9(12)11(15)14-7-12/h1-4,9H,5-7H2,(H,14,15)
InChIKeyRTAWXHHEPCSGBJ-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 84797846
5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 84804165
5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 84777218
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CID 140883960
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3-(2-chlorophenyl)-3-ethylazetidin-2-one
CID 130010496
1-(2-chlorophenyl)-2-methylcyclobutan-1-amine
CID 66431566
2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol
CID 131274787
1-chloro-2-[1-(2-chlorophenyl)cyclopentyl]benzene
CID 142095779
3,3-bis(2-chlorophenyl)cyclopentan-1-one
CID 142095772
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CID 169441930
2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
CID 145314644

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one?
The IUPAC name of 5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one (CID 84788394) is 5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one is O=C1NCC2(c3ccccc3Cl)CCC12.
What is the InChIKey of 5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one?
The InChIKey is RTAWXHHEPCSGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-10-4-2-1-3-8(10)12-6-5-9(12)11(15)14-7-12/h1-4,9H,5-7H2,(H,14,15).
What are the key properties of 5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one?
5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one has a molecular weight of 221.69 g/mol, XLogP of 2.12, 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[3.2.0]heptan-2-one is sourced from PubChem (CID 84788394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).