7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

C15H20N2O — CID 82026820

IUPAC7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
SMILESCc1ccc2c(c1)C(C)(C)CN1C(=O)CNCC21
InChIInChI=1S/C15H20N2O/c1-10-4-5-11-12(6-10)15(2,3)9-17-13(11)7-16-8-14(17)18/h4-6,13,16H,7-9H2,1-3H3
InChIKeyZEXDCURQOPUBGP-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.76
Rot. Bonds

About 7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (PubChem CID 82026820) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
PubChem CID82026820
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
SMILESCc1ccc2c(c1)C(C)(C)CN1C(=O)CNCC21
InChIInChI=1S/C15H20N2O/c1-10-4-5-11-12(6-10)15(2,3)9-17-13(11)7-16-8-14(17)18/h4-6,13,16H,7-9H2,1-3H3
InChIKeyZEXDCURQOPUBGP-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The IUPAC name of 7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (CID 82026820) is 7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The canonical SMILES for 7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is Cc1ccc2c(c1)C(C)(C)CN1C(=O)CNCC21.
What is the InChIKey of 7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The InChIKey is ZEXDCURQOPUBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-4-5-11-12(6-10)15(2,3)9-17-13(11)7-16-8-14(17)18/h4-6,13,16H,7-9H2,1-3H3.
What are the key properties of 7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one has a molecular weight of 244.34 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 82026820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).