(3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C19H19N3O2 — CID 97376720

IUPAC(3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCc1cccc(C(=O)N2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)n1
InChIInChI=1S/C19H19N3O2/c1-13-6-5-9-17(20-13)19(24)21-10-14-11-22(18(23)16(14)12-21)15-7-3-2-4-8-15/h2-9,14,16H,10-12H2,1H3/t14-,16+/m0/s1
InChIKeyZYGIKHFEYKMAEW-GOEBONIOSA-N
MW321.38 g/mol
LogP2.13
Rot. Bonds2

About (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

(3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 97376720) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID97376720
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCc1cccc(C(=O)N2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)n1
InChIInChI=1S/C19H19N3O2/c1-13-6-5-9-17(20-13)19(24)21-10-14-11-22(18(23)16(14)12-21)15-7-3-2-4-8-15/h2-9,14,16H,10-12H2,1H3/t14-,16+/m0/s1
InChIKeyZYGIKHFEYKMAEW-GOEBONIOSA-N
XLogP2.13
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one with MolForge

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Related Compounds

5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131659549
(3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97376730
2-(2-methylfuran-3-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131672798
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120746588
(3aS,6aR)-5-phenyl-2-(1H-pyrazole-5-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 133137537
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
2-(furan-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131641801
(3S,4S)-1-(6-methylpyridine-2-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70761952
(3aR,6aS)-5-phenyl-2-(pyridine-4-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;2,2,2-trifluoroacetic acid
CID 155862798
(3aR,6aS)-2-(pyridine-2-carbonyl)-5-pyrimidin-5-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97376757
[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-methyl-2-pyridinyl)methanone
CID 110126598
(3aS,6aR)-2-(3-hydroxypropanoyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124787764

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 97376720) is (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is Cc1cccc(C(=O)N2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)n1.
What is the InChIKey of (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is ZYGIKHFEYKMAEW-GOEBONIOSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-6-5-9-17(20-13)19(24)21-10-14-11-22(18(23)16(14)12-21)15-7-3-2-4-8-15/h2-9,14,16H,10-12H2,1H3/t14-,16+/m0/s1.
What are the key properties of (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
(3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 321.38 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-2-(6-methylpyridine-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 97376720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).