2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione

C11H10N2O2 — CID 154518170

IUPAC2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione
SMILESO=C1NCC(=O)N2C1=CC1=CC=CCC12
InChIInChI=1S/C11H10N2O2/c14-10-6-12-11(15)9-5-7-3-1-2-4-8(7)13(9)10/h1-3,5,8H,4,6H2,(H,12,15)
InChIKeyFYZKAQJGXZVMBM-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.10
Rot. Bonds

About 2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione

2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione (PubChem CID 154518170) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione.

Molecular Properties

Compound Name2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione
PubChem CID154518170
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione
SMILESO=C1NCC(=O)N2C1=CC1=CC=CCC12
InChIInChI=1S/C11H10N2O2/c14-10-6-12-11(15)9-5-7-3-1-2-4-8(7)13(9)10/h1-3,5,8H,4,6H2,(H,12,15)
InChIKeyFYZKAQJGXZVMBM-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-fluoro-3,4,5a,6,7,8-hexahydro-2H-pyrazino[1,2-a]indol-1-one
CID 89542654
Methylenequinoxalin-2,3(1h,4h)-dione
CID 129864268
1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 23456510
CID 59900548
CID 59900548
3,6,6a,7-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
CID 67639166
N-ethyl-3a,7a-dihydro-1H-indole-2-carboxamide
CID 68348244
4-(Cyclohexa-1,5-diene-1-carbonyl)piperazin-2-one
CID 68358385
3-Amino-1,7a-dihydroindol-2-one
CID 69177347
5-(7-amino-3-oxo-6,7-dihydro-1H-isoindol-2-yl)-3H-pyridine-2,6-dione
CID 69421356
(1-Methyl-3a,7a-dihydroindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 71003583
5-acetamido-8-chloro-1,4-dihydro-5H-indeno[1,2-b]pyrazine-2,3-dione
CID 86754194
3,6,17-Triazatetracyclo[8.7.0.03,8.011,16]heptadeca-8,10,12,14-tetraene-4,7-dione
CID 87096349

Frequently Asked Questions

What is the IUPAC name of 2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione?
The IUPAC name of 2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione (CID 154518170) is 2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione.
What is the SMILES notation for 2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione?
The canonical SMILES for 2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione is O=C1NCC(=O)N2C1=CC1=CC=CCC12.
What is the InChIKey of 2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione?
The InChIKey is FYZKAQJGXZVMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-10-6-12-11(15)9-5-7-3-1-2-4-8(7)13(9)10/h1-3,5,8H,4,6H2,(H,12,15).
What are the key properties of 2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione?
2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione has a molecular weight of 202.21 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5a,6-tetrahydropyrazino[1,2-a]indole-1,4-dione is sourced from PubChem (CID 154518170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).