2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one

C8H14N2O — CID 140974406

IUPAC2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one
SMILESCC1CC(=O)C2CNCC2N1
InChIInChI=1S/C8H14N2O/c1-5-2-8(11)6-3-9-4-7(6)10-5/h5-7,9-10H,2-4H2,1H3
InChIKeyONFJETVGDUJYKC-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.47
Rot. Bonds

About 2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one

2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one (PubChem CID 140974406) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one
PubChem CID140974406
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one
SMILESCC1CC(=O)C2CNCC2N1
InChIInChI=1S/C8H14N2O/c1-5-2-8(11)6-3-9-4-7(6)10-5/h5-7,9-10H,2-4H2,1H3
InChIKeyONFJETVGDUJYKC-UHFFFAOYSA-N
XLogP-0.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one?
The IUPAC name of 2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one (CID 140974406) is 2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one.
What is the SMILES notation for 2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one?
The canonical SMILES for 2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one is CC1CC(=O)C2CNCC2N1.
What is the InChIKey of 2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one?
The InChIKey is ONFJETVGDUJYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-2-8(11)6-3-9-4-7(6)10-5/h5-7,9-10H,2-4H2,1H3.
What are the key properties of 2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one?
2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one has a molecular weight of 154.21 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-4-one is sourced from PubChem (CID 140974406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).