(4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C13H15BrN2 — CID 68889117

IUPAC(4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1c(Br)ccc2cc3n(c12)[C@H](C)CNC3
InChIInChI=1S/C13H15BrN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-5,8,15H,6-7H2,1-2H3/t8-/m1/s1
InChIKeyWZZCSPDAFKKZTD-MRVPVSSYSA-N
MW279.18 g/mol
LogP3.38
Rot. Bonds

About (4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

(4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 68889117) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is (4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name(4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID68889117
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name(4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1c(Br)ccc2cc3n(c12)[C@H](C)CNC3
InChIInChI=1S/C13H15BrN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-5,8,15H,6-7H2,1-2H3/t8-/m1/s1
InChIKeyWZZCSPDAFKKZTD-MRVPVSSYSA-N
XLogP3.38
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of (4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 68889117) is (4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for (4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for (4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is Cc1c(Br)ccc2cc3n(c12)[C@H](C)CNC3.
What is the InChIKey of (4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is WZZCSPDAFKKZTD-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-5,8,15H,6-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
(4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 279.18 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 68889117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).