(10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

C12H15ClN2 — CID 10176869

IUPAC(10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESCc1c(Cl)ccc2c1N1CCNC[C@@H]1C2
InChIInChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m0/s1
InChIKeyPRMDFIDXMNQOIN-JTQLQIEISA-N
MW222.72 g/mol
LogP1.98
Rot. Bonds

About (10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

(10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (PubChem CID 10176869) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name(10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
PubChem CID10176869
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name(10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESCc1c(Cl)ccc2c1N1CCNC[C@@H]1C2
InChIInChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m0/s1
InChIKeyPRMDFIDXMNQOIN-JTQLQIEISA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The IUPAC name of (10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (CID 10176869) is (10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.
What is the SMILES notation for (10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The canonical SMILES for (10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is Cc1c(Cl)ccc2c1N1CCNC[C@@H]1C2.
What is the InChIKey of (10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The InChIKey is PRMDFIDXMNQOIN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m0/s1.
What are the key properties of (10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
(10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole has a molecular weight of 222.72 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-7-chloro-6-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is sourced from PubChem (CID 10176869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).