7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

C11H12Cl2N2 — CID 162434303

IUPAC7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESClc1cc2c(cc1Cl)N1CCNCC1C2
InChIInChI=1S/C11H12Cl2N2/c12-9-4-7-3-8-6-14-1-2-15(8)11(7)5-10(9)13/h4-5,8,14H,1-3,6H2
InChIKeyKWTYPRMSUXIRRH-UHFFFAOYSA-N
MW243.14 g/mol
LogP2.33
Rot. Bonds

About 7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (PubChem CID 162434303) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
PubChem CID162434303
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESClc1cc2c(cc1Cl)N1CCNCC1C2
InChIInChI=1S/C11H12Cl2N2/c12-9-4-7-3-8-6-14-1-2-15(8)11(7)5-10(9)13/h4-5,8,14H,1-3,6H2
InChIKeyKWTYPRMSUXIRRH-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The IUPAC name of 7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (CID 162434303) is 7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.
What is the SMILES notation for 7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The canonical SMILES for 7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is Clc1cc2c(cc1Cl)N1CCNCC1C2.
What is the InChIKey of 7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The InChIKey is KWTYPRMSUXIRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c12-9-4-7-3-8-6-14-1-2-15(8)11(7)5-10(9)13/h4-5,8,14H,1-3,6H2.
What are the key properties of 7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole has a molecular weight of 243.14 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is sourced from PubChem (CID 162434303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).