8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

C15H22N2 — CID 84626454

IUPAC8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
SMILESCC(C)(C)c1ccc2c(c1)N1CCCC1CN2
InChIInChI=1S/C15H22N2/c1-15(2,3)11-6-7-13-14(9-11)17-8-4-5-12(17)10-16-13/h6-7,9,12,16H,4-5,8,10H2,1-3H3
InChIKeyPYRWMPAUTPLKLD-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.38
Rot. Bonds

About 8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (PubChem CID 84626454) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
PubChem CID84626454
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
SMILESCC(C)(C)c1ccc2c(c1)N1CCCC1CN2
InChIInChI=1S/C15H22N2/c1-15(2,3)11-6-7-13-14(9-11)17-8-4-5-12(17)10-16-13/h6-7,9,12,16H,4-5,8,10H2,1-3H3
InChIKeyPYRWMPAUTPLKLD-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The IUPAC name of 8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (CID 84626454) is 8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is CC(C)(C)c1ccc2c(c1)N1CCCC1CN2.
What is the InChIKey of 8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The InChIKey is PYRWMPAUTPLKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(2,3)11-6-7-13-14(9-11)17-8-4-5-12(17)10-16-13/h6-7,9,12,16H,4-5,8,10H2,1-3H3.
What are the key properties of 8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline has a molecular weight of 230.36 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 84626454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).