6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C13H17N3O — CID 175853784

IUPAC6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCC1(C)CCCN1c1cc2c(cn1)CNC2=O
InChIInChI=1S/C13H17N3O/c1-13(2)4-3-5-16(13)11-6-10-9(7-14-11)8-15-12(10)17/h6-7H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyWONFROJASPEARP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.70
Rot. Bonds1

About 6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 175853784) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID175853784
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCC1(C)CCCN1c1cc2c(cn1)CNC2=O
InChIInChI=1S/C13H17N3O/c1-13(2)4-3-5-16(13)11-6-10-9(7-14-11)8-15-12(10)17/h6-7H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyWONFROJASPEARP-UHFFFAOYSA-N
XLogP1.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 175853784) is 6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CC1(C)CCCN1c1cc2c(cn1)CNC2=O.
What is the InChIKey of 6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is WONFROJASPEARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2)4-3-5-16(13)11-6-10-9(7-14-11)8-15-12(10)17/h6-7H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of 6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 231.30 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpyrrolidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 175853784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).