(3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

C15H19N3O3 — CID 138379735

IUPAC(3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESCc1ccc(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)c(=O)[nH]1
InChIInChI=1S/C15H19N3O3/c1-9-3-4-11(13(19)16-9)15(21)18-7-10-5-6-17(2)14(20)12(10)8-18/h3-4,10,12H,5-8H2,1-2H3,(H,16,19)/t10-,12+/m1/s1
InChIKeyIEPPBMJDWOZLFM-PWSUYJOCSA-N
MW289.33 g/mol
LogP0.23
Rot. Bonds1

About (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

(3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 138379735) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name(3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
PubChem CID138379735
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESCc1ccc(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)c(=O)[nH]1
InChIInChI=1S/C15H19N3O3/c1-9-3-4-11(13(19)16-9)15(21)18-7-10-5-6-17(2)14(20)12(10)8-18/h3-4,10,12H,5-8H2,1-2H3,(H,16,19)/t10-,12+/m1/s1
InChIKeyIEPPBMJDWOZLFM-PWSUYJOCSA-N
XLogP0.23
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (CID 138379735) is (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is Cc1ccc(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)c(=O)[nH]1.
What is the InChIKey of (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is IEPPBMJDWOZLFM-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-3-4-11(13(19)16-9)15(21)18-7-10-5-6-17(2)14(20)12(10)8-18/h3-4,10,12H,5-8H2,1-2H3,(H,16,19)/t10-,12+/m1/s1.
What are the key properties of (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
(3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 289.33 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-5-methyl-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 138379735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).