(10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

C14H20N2 — CID 70004822

IUPAC(10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESCc1cccc2c1N1C(C)CNC[C@H]1C2C
InChIInChI=1S/C14H20N2/c1-9-5-4-6-12-11(3)13-8-15-7-10(2)16(13)14(9)12/h4-6,10-11,13,15H,7-8H2,1-3H3/t10?,11?,13-/m0/s1
InChIKeyKSJQKGRWIINCEO-XIVSLSHWSA-N
MW216.33 g/mol
LogP2.28
Rot. Bonds

About (10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole

(10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (PubChem CID 70004822) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name(10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
PubChem CID70004822
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
SMILESCc1cccc2c1N1C(C)CNC[C@H]1C2C
InChIInChI=1S/C14H20N2/c1-9-5-4-6-12-11(3)13-8-15-7-10(2)16(13)14(9)12/h4-6,10-11,13,15H,7-8H2,1-3H3/t10?,11?,13-/m0/s1
InChIKeyKSJQKGRWIINCEO-XIVSLSHWSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The IUPAC name of (10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole (CID 70004822) is (10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole.
What is the SMILES notation for (10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The canonical SMILES for (10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is Cc1cccc2c1N1C(C)CNC[C@H]1C2C.
What is the InChIKey of (10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
The InChIKey is KSJQKGRWIINCEO-XIVSLSHWSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-5-4-6-12-11(3)13-8-15-7-10(2)16(13)14(9)12/h4-6,10-11,13,15H,7-8H2,1-3H3/t10?,11?,13-/m0/s1.
What are the key properties of (10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole?
(10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole has a molecular weight of 216.33 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole is sourced from PubChem (CID 70004822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).