6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one

C9H12N2O — CID 82375921

IUPAC6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one
SMILESCc1[nH]c(=O)c2c(c1C)CNC2
InChIInChI=1S/C9H12N2O/c1-5-6(2)11-9(12)8-4-10-3-7(5)8/h10H,3-4H2,1-2H3,(H,11,12)
InChIKeyQDWWIHOSKXHVEZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.59
Rot. Bonds

About 6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one

6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 82375921) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one
PubChem CID82375921
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one
SMILESCc1[nH]c(=O)c2c(c1C)CNC2
InChIInChI=1S/C9H12N2O/c1-5-6(2)11-9(12)8-4-10-3-7(5)8/h10H,3-4H2,1-2H3,(H,11,12)
InChIKeyQDWWIHOSKXHVEZ-UHFFFAOYSA-N
XLogP0.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of 6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one (CID 82375921) is 6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for 6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one is Cc1[nH]c(=O)c2c(c1C)CNC2.
What is the InChIKey of 6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is QDWWIHOSKXHVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-5-6(2)11-9(12)8-4-10-3-7(5)8/h10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one?
6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,2,3,5-tetrahydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 82375921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).