2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride

C13H19ClN4 — CID 118990134

IUPAC2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride
SMILESCN1CCn2c(C#N)ccc2C12CCNCC2.Cl
InChIInChI=1S/C13H18N4.ClH/c1-16-8-9-17-11(10-14)2-3-12(17)13(16)4-6-15-7-5-13;/h2-3,15H,4-9H2,1H3;1H
InChIKeyWFBDZYHTKTUQOQ-UHFFFAOYSA-N
MW266.78 g/mol
LogP1.31
Rot. Bonds

About 2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride

2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride (PubChem CID 118990134) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride
PubChem CID118990134
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride
SMILESCN1CCn2c(C#N)ccc2C12CCNCC2.Cl
InChIInChI=1S/C13H18N4.ClH/c1-16-8-9-17-11(10-14)2-3-12(17)13(16)4-6-15-7-5-13;/h2-3,15H,4-9H2,1H3;1H
InChIKeyWFBDZYHTKTUQOQ-UHFFFAOYSA-N
XLogP1.31
TPSA43.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride?
The IUPAC name of 2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride (CID 118990134) is 2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride.
What is the SMILES notation for 2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride?
The canonical SMILES for 2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride is CN1CCn2c(C#N)ccc2C12CCNCC2.Cl.
What is the InChIKey of 2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride?
The InChIKey is WFBDZYHTKTUQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.ClH/c1-16-8-9-17-11(10-14)2-3-12(17)13(16)4-6-15-7-5-13;/h2-3,15H,4-9H2,1H3;1H.
What are the key properties of 2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride?
2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride has a molecular weight of 266.78 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-carbonitrile;hydrochloride is sourced from PubChem (CID 118990134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).