6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride

C12H14Cl2N2O — CID 72546604

IUPAC6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
SMILESCl.O=C1Nc2cc(Cl)ccc2C12CCNCC2
InChIInChI=1S/C12H13ClN2O.ClH/c13-8-1-2-9-10(7-8)15-11(16)12(9)3-5-14-6-4-12;/h1-2,7,14H,3-6H2,(H,15,16);1H
InChIKeyFZLLMWSXIJWFNQ-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.34
Rot. Bonds

About 6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride

6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride (PubChem CID 72546604) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride.

Molecular Properties

Compound Name6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
PubChem CID72546604
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
SMILESCl.O=C1Nc2cc(Cl)ccc2C12CCNCC2
InChIInChI=1S/C12H13ClN2O.ClH/c13-8-1-2-9-10(7-8)15-11(16)12(9)3-5-14-6-4-12;/h1-2,7,14H,3-6H2,(H,15,16);1H
InChIKeyFZLLMWSXIJWFNQ-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride?
The IUPAC name of 6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride (CID 72546604) is 6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride.
What is the SMILES notation for 6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride?
The canonical SMILES for 6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride is Cl.O=C1Nc2cc(Cl)ccc2C12CCNCC2.
What is the InChIKey of 6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride?
The InChIKey is FZLLMWSXIJWFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O.ClH/c13-8-1-2-9-10(7-8)15-11(16)12(9)3-5-14-6-4-12;/h1-2,7,14H,3-6H2,(H,15,16);1H.
What are the key properties of 6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride?
6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride has a molecular weight of 273.16 g/mol, XLogP of 2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride is sourced from PubChem (CID 72546604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).