7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

C13H16N2O — CID 84740131

IUPAC7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESCc1cc(C)c2c(c1)N1C(=O)CNCC1C2
InChIInChI=1S/C13H16N2O/c1-8-3-9(2)11-5-10-6-14-7-13(16)15(10)12(11)4-8/h3-4,10,14H,5-7H2,1-2H3
InChIKeyVABSLGIBIZMWDL-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.16
Rot. Bonds

About 7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (PubChem CID 84740131) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.

Molecular Properties

Compound Name7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
PubChem CID84740131
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESCc1cc(C)c2c(c1)N1C(=O)CNCC1C2
InChIInChI=1S/C13H16N2O/c1-8-3-9(2)11-5-10-6-14-7-13(16)15(10)12(11)4-8/h3-4,10,14H,5-7H2,1-2H3
InChIKeyVABSLGIBIZMWDL-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84646679
6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84631970
8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84740780
9-(trifluoromethyl)-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 115107411
8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84742972
7-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84742973
(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96582225
8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84646142
7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
CID 84631890
9-bromo-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one
CID 115107452
8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one
CID 115107456
1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[2,1-c][1,4]benzoxazine-9-carboxylic acid
CID 84632993

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The IUPAC name of 7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (CID 84740131) is 7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.
What is the SMILES notation for 7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The canonical SMILES for 7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is Cc1cc(C)c2c(c1)N1C(=O)CNCC1C2.
What is the InChIKey of 7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The InChIKey is VABSLGIBIZMWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-3-9(2)11-5-10-6-14-7-13(16)15(10)12(11)4-8/h3-4,10,14H,5-7H2,1-2H3.
What are the key properties of 7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one has a molecular weight of 216.28 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is sourced from PubChem (CID 84740131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).