spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride

C13H16ClNO — CID 18673582

IUPACspiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C13H15NO.ClH/c15-12-9-13(5-7-14-8-6-13)11-4-2-1-3-10(11)12;/h1-4,14H,5-9H2;1H
InChIKeyZJEHLHIBZLOSAQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.32
Rot. Bonds

About spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride

spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride (PubChem CID 18673582) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride.

Molecular Properties

Compound Namespiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride
PubChem CID18673582
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Namespiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C1CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C13H15NO.ClH/c15-12-9-13(5-7-14-8-6-13)11-4-2-1-3-10(11)12;/h1-4,14H,5-9H2;1H
InChIKeyZJEHLHIBZLOSAQ-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride?
The IUPAC name of spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride (CID 18673582) is spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride.
What is the SMILES notation for spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride?
The canonical SMILES for spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride is Cl.O=C1CC2(CCNCC2)c2ccccc21.
What is the InChIKey of spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride?
The InChIKey is ZJEHLHIBZLOSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.ClH/c15-12-9-13(5-7-14-8-6-13)11-4-2-1-3-10(11)12;/h1-4,14H,5-9H2;1H.
What are the key properties of spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride?
spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride is sourced from PubChem (CID 18673582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).