2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one

C13H16N2O — CID 66875848

IUPAC2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one
SMILESCC1NCCc2c1ccc1c2CN(C)C1=O
InChIInChI=1S/C13H16N2O/c1-8-9-3-4-11-12(7-15(2)13(11)16)10(9)5-6-14-8/h3-4,8,14H,5-7H2,1-2H3
InChIKeySYIBOLOJYRHZMA-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.48
Rot. Bonds

About 2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one

2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one (PubChem CID 66875848) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one.

Molecular Properties

Compound Name2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one
PubChem CID66875848
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one
SMILESCC1NCCc2c1ccc1c2CN(C)C1=O
InChIInChI=1S/C13H16N2O/c1-8-9-3-4-11-12(7-15(2)13(11)16)10(9)5-6-14-8/h3-4,8,14H,5-7H2,1-2H3
InChIKeySYIBOLOJYRHZMA-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one?
The IUPAC name of 2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one (CID 66875848) is 2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one.
What is the SMILES notation for 2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one?
The canonical SMILES for 2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one is CC1NCCc2c1ccc1c2CN(C)C1=O.
What is the InChIKey of 2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one?
The InChIKey is SYIBOLOJYRHZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-9-3-4-11-12(7-15(2)13(11)16)10(9)5-6-14-8/h3-4,8,14H,5-7H2,1-2H3.
What are the key properties of 2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one?
2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one has a molecular weight of 216.28 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one is sourced from PubChem (CID 66875848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).