3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one

C9H11FN2O — CID 171808299

IUPAC3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1F)CNC2
InChIInChI=1S/C9H11FN2O/c1-5-6-3-11-4-7(6)12(2)9(13)8(5)10/h11H,3-4H2,1-2H3
InChIKeyBIVZWSCACXIYGZ-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.44
Rot. Bonds

About 3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one

3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808299) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
PubChem CID171808299
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1F)CNC2
InChIInChI=1S/C9H11FN2O/c1-5-6-3-11-4-7(6)12(2)9(13)8(5)10/h11H,3-4H2,1-2H3
InChIKeyBIVZWSCACXIYGZ-UHFFFAOYSA-N
XLogP0.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (CID 171808299) is 3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(C)c(=O)c1F)CNC2.
What is the InChIKey of 3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The InChIKey is BIVZWSCACXIYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-5-6-3-11-4-7(6)12(2)9(13)8(5)10/h11H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one has a molecular weight of 182.20 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).