5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one

C13H16N2O — CID 68975938

IUPAC5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
SMILESCc1cccc2c1N(C)C(=O)C1CNCC21
InChIInChI=1S/C13H16N2O/c1-8-4-3-5-9-10-6-14-7-11(10)13(16)15(2)12(8)9/h3-5,10-11,14H,6-7H2,1-2H3
InChIKeyOXPJQSXZHJLJTC-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.27
Rot. Bonds

About 5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one

5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one (PubChem CID 68975938) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
PubChem CID68975938
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
SMILESCc1cccc2c1N(C)C(=O)C1CNCC21
InChIInChI=1S/C13H16N2O/c1-8-4-3-5-9-10-6-14-7-11(10)13(16)15(2)12(8)9/h3-5,10-11,14H,6-7H2,1-2H3
InChIKeyOXPJQSXZHJLJTC-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one?
The IUPAC name of 5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one (CID 68975938) is 5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one?
The canonical SMILES for 5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one is Cc1cccc2c1N(C)C(=O)C1CNCC21.
What is the InChIKey of 5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one?
The InChIKey is OXPJQSXZHJLJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-4-3-5-9-10-6-14-7-11(10)13(16)15(2)12(8)9/h3-5,10-11,14H,6-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one?
5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one has a molecular weight of 216.28 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 68975938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).