10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C14H18N2 — CID 84621981

IUPAC10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCC(C)c1c2n(c3ccccc13)CCNC2
InChIInChI=1S/C14H18N2/c1-10(2)14-11-5-3-4-6-12(11)16-8-7-15-9-13(14)16/h3-6,10,15H,7-9H2,1-2H3
InChIKeyCEJWTQDFIGYXNR-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.87
Rot. Bonds1

About 10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 84621981) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID84621981
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCC(C)c1c2n(c3ccccc13)CCNC2
InChIInChI=1S/C14H18N2/c1-10(2)14-11-5-3-4-6-12(11)16-8-7-15-9-13(14)16/h3-6,10,15H,7-9H2,1-2H3
InChIKeyCEJWTQDFIGYXNR-UHFFFAOYSA-N
XLogP2.87
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 84621981) is 10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is CC(C)c1c2n(c3ccccc13)CCNC2.
What is the InChIKey of 10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is CEJWTQDFIGYXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(2)14-11-5-3-4-6-12(11)16-8-7-15-9-13(14)16/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 214.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 84621981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).