7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride

C11H15ClN2 — CID 18520362

IUPAC7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride
SMILESC1=CN2C3=CCCCC3CC2C=N1.Cl
InChIInChI=1S/C11H14N2.ClH/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11;/h4-6,8-10H,1-3,7H2;1H
InChIKeyUAABKNNBAQIERP-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.72
Rot. Bonds

About 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride

7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride (PubChem CID 18520362) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride.

Molecular Properties

Compound Name7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride
PubChem CID18520362
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride
SMILESC1=CN2C3=CCCCC3CC2C=N1.Cl
InChIInChI=1S/C11H14N2.ClH/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11;/h4-6,8-10H,1-3,7H2;1H
InChIKeyUAABKNNBAQIERP-UHFFFAOYSA-N
XLogP2.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride?
The IUPAC name of 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride (CID 18520362) is 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride.
What is the SMILES notation for 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride?
The canonical SMILES for 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride is C1=CN2C3=CCCCC3CC2C=N1.Cl.
What is the InChIKey of 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride?
The InChIKey is UAABKNNBAQIERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.ClH/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11;/h4-6,8-10H,1-3,7H2;1H.
What are the key properties of 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride?
7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride has a molecular weight of 210.71 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride is sourced from PubChem (CID 18520362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).