8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid

C17H22N2O2 — CID 84643652

IUPAC8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid
SMILESCN1CCn2c(c(C(=O)O)c3cc(C(C)(C)C)ccc32)C1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)11-5-6-13-12(9-11)15(16(20)21)14-10-18(4)7-8-19(13)14/h5-6,9H,7-8,10H2,1-4H3,(H,20,21)
InChIKeySSFLSJISVGCJQF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.08
Rot. Bonds1

About 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid

8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid (PubChem CID 84643652) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid
PubChem CID84643652
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid
SMILESCN1CCn2c(c(C(=O)O)c3cc(C(C)(C)C)ccc32)C1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)11-5-6-13-12(9-11)15(16(20)21)14-10-18(4)7-8-19(13)14/h5-6,9H,7-8,10H2,1-4H3,(H,20,21)
InChIKeySSFLSJISVGCJQF-UHFFFAOYSA-N
XLogP3.08
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid with MolForge

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Related Compounds

5-tert-butyl-1-methylindole-3-carboxylic acid
CID 82278768
5-tert-butyl-1,3-dimethylindole-2-carboxylic acid
CID 82497925
7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid
CID 19606931
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947640
2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol
CID 123794847
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
CID 19599427
5-tert-butyl-1,3-dimethylindole
CID 82491537
2-(5-tert-butyl-3-ethylindol-1-yl)acetic acid
CID 83945073
3,6-ditert-butyl-9-heptylcarbazole
CID 146635987
7-tert-butylnaphthalene-1-carboxylic acid
CID 130352675
3,6-ditert-butyl-9-hexylcarbazole
CID 146671988
5-tert-butyl-3-cyclopropyl-1-benzothiophene-2-carboxylic acid
CID 114359249

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid (CID 84643652) is 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid is CN1CCn2c(c(C(=O)O)c3cc(C(C)(C)C)ccc32)C1.
What is the InChIKey of 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid?
The InChIKey is SSFLSJISVGCJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,3)11-5-6-13-12(9-11)15(16(20)21)14-10-18(4)7-8-19(13)14/h5-6,9H,7-8,10H2,1-4H3,(H,20,21).
What are the key properties of 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid?
8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 84643652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).