10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

C14H17BrN2O — CID 84645206

IUPAC10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCOc1cc(C)c2c(c1)c(Br)c1n2CCN(C)C1
InChIInChI=1S/C14H17BrN2O/c1-9-6-10(18-3)7-11-13(15)12-8-16(2)4-5-17(12)14(9)11/h6-7H,4-5,8H2,1-3H3
InChIKeyIAFUMHLHROLRSX-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.17
Rot. Bonds1

About 10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 84645206) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID84645206
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCOc1cc(C)c2c(c1)c(Br)c1n2CCN(C)C1
InChIInChI=1S/C14H17BrN2O/c1-9-6-10(18-3)7-11-13(15)12-8-16(2)4-5-17(12)14(9)11/h6-7H,4-5,8H2,1-3H3
InChIKeyIAFUMHLHROLRSX-UHFFFAOYSA-N
XLogP3.17
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 84645206) is 10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is COc1cc(C)c2c(c1)c(Br)c1n2CCN(C)C1.
What is the InChIKey of 10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is IAFUMHLHROLRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-9-6-10(18-3)7-11-13(15)12-8-16(2)4-5-17(12)14(9)11/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 309.21 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-8-methoxy-2,6-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 84645206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).