tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate

C17H21FN2O2 — CID 141048391

IUPACtert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)Cc2cc3ccc(F)cc3n21
InChIInChI=1S/C17H21FN2O2/c1-11-9-19(16(21)22-17(2,3)4)10-14-7-12-5-6-13(18)8-15(12)20(11)14/h5-8,11H,9-10H2,1-4H3
InChIKeyAHCRNEMQXDZBJS-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.09
Rot. Bonds

About tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate

tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate (PubChem CID 141048391) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
PubChem CID141048391
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Nametert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)Cc2cc3ccc(F)cc3n21
InChIInChI=1S/C17H21FN2O2/c1-11-9-19(16(21)22-17(2,3)4)10-14-7-12-5-6-13(18)8-15(12)20(11)14/h5-8,11H,9-10H2,1-4H3
InChIKeyAHCRNEMQXDZBJS-UHFFFAOYSA-N
XLogP4.09
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The IUPAC name of tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate (CID 141048391) is tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate.
What is the SMILES notation for tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The canonical SMILES for tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate is CC1CN(C(=O)OC(C)(C)C)Cc2cc3ccc(F)cc3n21.
What is the InChIKey of tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The InChIKey is AHCRNEMQXDZBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-11-9-19(16(21)22-17(2,3)4)10-14-7-12-5-6-13(18)8-15(12)20(11)14/h5-8,11H,9-10H2,1-4H3.
What are the key properties of tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate is sourced from PubChem (CID 141048391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).