9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole

C17H24N2 — CID 91130499

IUPAC9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
SMILESCCC1=CC(CC(C)C)C2CN3C=CN=CC3C2=C1
InChIInChI=1S/C17H24N2/c1-4-13-8-14(7-12(2)3)16-11-19-6-5-18-10-17(19)15(16)9-13/h5-6,8-10,12,14,16-17H,4,7,11H2,1-3H3
InChIKeyWLSKMSZKEMSRSP-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.78
Rot. Bonds3

About 9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole

9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole (PubChem CID 91130499) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole.

Molecular Properties

Compound Name9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
PubChem CID91130499
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
SMILESCCC1=CC(CC(C)C)C2CN3C=CN=CC3C2=C1
InChIInChI=1S/C17H24N2/c1-4-13-8-14(7-12(2)3)16-11-19-6-5-18-10-17(19)15(16)9-13/h5-6,8-10,12,14,16-17H,4,7,11H2,1-3H3
InChIKeyWLSKMSZKEMSRSP-UHFFFAOYSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,8,9,9a,10,10a-Hexahydropyrazino[1,2-a]indole
CID 18520363
1-Propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
CID 90960236
3-Aza-12-azoniapentacyclo[10.7.1.02,10.04,9.016,20]icosa-5,7,11,13,15,18-hexaene
CID 3063310
9a,10,10a-Trideuterio-9,10-dihydropyrazino[1,2-a]indole
CID 20824956
9,9a,10,10a-Tetradeuterio-9,10-dihydropyrazino[1,2-a]indole
CID 20824957
9,9a,10,10a-Tetrahydropyrazino[1,2-a]indole
CID 21868729
10-Methyl-9,9a,10,10a-tetrahydropyrazino[1,2-a]indole
CID 22595906
2,5-Diazatetracyclo[13.4.0.02,7.08,13]nonadeca-3,5,9,11,16,18-hexaene
CID 54266776
1,5-Diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,12(21),14,16-pentaene
CID 67838243
(7S,8R)-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,12(21),14,16-pentaene
CID 67843275
(7S,8R)-11-ethyl-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,12(21),14,16-pentaene
CID 68126308
11-(Cyclopropylmethyl)-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,12(21),14,16-pentaene
CID 68126672

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
The IUPAC name of 9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole (CID 91130499) is 9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole.
What is the SMILES notation for 9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
The canonical SMILES for 9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole is CCC1=CC(CC(C)C)C2CN3C=CN=CC3C2=C1.
What is the InChIKey of 9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
The InChIKey is WLSKMSZKEMSRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-13-8-14(7-12(2)3)16-11-19-6-5-18-10-17(19)15(16)9-13/h5-6,8-10,12,14,16-17H,4,7,11H2,1-3H3.
What are the key properties of 9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole has a molecular weight of 256.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole is sourced from PubChem (CID 91130499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).