10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C13H15BrN2 — CID 84642518

IUPAC10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCCc1ccc2c(c1)c(Br)c1n2CCNC1
InChIInChI=1S/C13H15BrN2/c1-2-9-3-4-11-10(7-9)13(14)12-8-15-5-6-16(11)12/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyHPRWKJDUJVLNHB-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.07
Rot. Bonds1

About 10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 84642518) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID84642518
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCCc1ccc2c(c1)c(Br)c1n2CCNC1
InChIInChI=1S/C13H15BrN2/c1-2-9-3-4-11-10(7-9)13(14)12-8-15-5-6-16(11)12/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyHPRWKJDUJVLNHB-UHFFFAOYSA-N
XLogP3.07
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 82492833
10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84625593
10-chloro-8-fluoro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84624659
1-(2-bromo-4-ethylphenyl)piperazine
CID 84712435
3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236321
10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84621981
7-fluoro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84620202
5-ethyl-1-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)indole
CID 176569380
(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone
CID 95432972
6,8-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 84649460
1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 82397497
9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 96594157

Frequently Asked Questions

What is the IUPAC name of 10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 84642518) is 10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is CCc1ccc2c(c1)c(Br)c1n2CCNC1.
What is the InChIKey of 10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is HPRWKJDUJVLNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-2-9-3-4-11-10(7-9)13(14)12-8-15-5-6-16(11)12/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 279.18 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 84642518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).