(4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

C13H18N2 — CID 20824945

IUPAC(4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESCc1ccc2c(c1)N1[C@@H](CNC[C@H]1C)C2
InChIInChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5-9/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyGSVJXYKZMGNFFX-ZYHUDNBSSA-N
MW202.30 g/mol
LogP1.72
Rot. Bonds

About (4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

(4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (PubChem CID 20824945) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name(4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
PubChem CID20824945
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESCc1ccc2c(c1)N1[C@@H](CNC[C@H]1C)C2
InChIInChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5-9/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyGSVJXYKZMGNFFX-ZYHUDNBSSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The IUPAC name of (4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (CID 20824945) is (4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.
What is the SMILES notation for (4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The canonical SMILES for (4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is Cc1ccc2c(c1)N1[C@@H](CNC[C@H]1C)C2.
What is the InChIKey of (4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The InChIKey is GSVJXYKZMGNFFX-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5-9/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
(4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole has a molecular weight of 202.30 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,10aR)-4,7-dimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is sourced from PubChem (CID 20824945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).