6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one

C12H13ClN2O — CID 84727449

IUPAC6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one
SMILESO=C1NC2(CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C12H13ClN2O/c13-8-1-2-10-9(7-8)11(16)15-12(10)3-5-14-6-4-12/h1-2,7,14H,3-6H2,(H,15,16)
InChIKeyIEFHCWZNBUYOEO-UHFFFAOYSA-N
MW236.70 g/mol
LogP1.66
Rot. Bonds

About 6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one

6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one (PubChem CID 84727449) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one
PubChem CID84727449
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one
SMILESO=C1NC2(CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C12H13ClN2O/c13-8-1-2-10-9(7-8)11(16)15-12(10)3-5-14-6-4-12/h1-2,7,14H,3-6H2,(H,15,16)
InChIKeyIEFHCWZNBUYOEO-UHFFFAOYSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-2,3-dihydro-1H-isoindol-1-one
CID 12496475
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744756
7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-one
CID 18672397
N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2097228
(R)-7-chloro-9-ethyl-1,3,4,10b-tetrahydropyrazino[2,1-a]-isoindol-6(2H)-one
CID 11483068
(3aR,9bS)-6,7-dichloro-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one;hydrochloride
CID 11609025
(3Ar,9bs)-6-chloro-9-ethyl-2,3,3a,4-tetrahydro-1h-pyrrolo[3,4-c]isoquinolin-5(9bh)-one hydrochloride
CID 11630622
(+/-)-7-chloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11737032
(R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11737939
(R)-9-chloro-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 16115650
3-(4-chloro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-dioxopiperidine
CID 66823592
6-chloro-2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 67189726

Frequently Asked Questions

What is the IUPAC name of 6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one?
The IUPAC name of 6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one (CID 84727449) is 6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one.
What is the SMILES notation for 6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one?
The canonical SMILES for 6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one is O=C1NC2(CCNCC2)c2ccc(Cl)cc21.
What is the InChIKey of 6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one?
The InChIKey is IEFHCWZNBUYOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-8-1-2-10-9(7-8)11(16)15-12(10)3-5-14-6-4-12/h1-2,7,14H,3-6H2,(H,15,16).
What are the key properties of 6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one?
6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one has a molecular weight of 236.70 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one is sourced from PubChem (CID 84727449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).