tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate

C16H19FN2O2 — CID 18520520

IUPACtert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(cc3c(F)cccc32)C1
InChIInChI=1S/C16H19FN2O2/c1-16(2,3)21-15(20)18-7-8-19-11(10-18)9-12-13(17)5-4-6-14(12)19/h4-6,9H,7-8,10H2,1-3H3
InChIKeyUWJMRPAITVRSTE-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.53
Rot. Bonds

About tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate

tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate (PubChem CID 18520520) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
PubChem CID18520520
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Nametert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(cc3c(F)cccc32)C1
InChIInChI=1S/C16H19FN2O2/c1-16(2,3)21-15(20)18-7-8-19-11(10-18)9-12-13(17)5-4-6-14(12)19/h4-6,9H,7-8,10H2,1-3H3
InChIKeyUWJMRPAITVRSTE-UHFFFAOYSA-N
XLogP3.53
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The IUPAC name of tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate (CID 18520520) is tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate.
What is the SMILES notation for tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The canonical SMILES for tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate is CC(C)(C)OC(=O)N1CCn2c(cc3c(F)cccc32)C1.
What is the InChIKey of tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The InChIKey is UWJMRPAITVRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-16(2,3)21-15(20)18-7-8-19-11(10-18)9-12-13(17)5-4-6-14(12)19/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-fluoro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate is sourced from PubChem (CID 18520520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).