3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one

C14H19N3O2 — CID 131688491

IUPAC3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one
SMILESCN1C[C@@H]2CCN(C(=O)c3cccn(C)c3=O)[C@@H]2C1
InChIInChI=1S/C14H19N3O2/c1-15-8-10-5-7-17(12(10)9-15)14(19)11-4-3-6-16(2)13(11)18/h3-4,6,10,12H,5,7-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyDORCSDYTTCEOHQ-CMPLNLGQSA-N
MW261.32 g/mol
LogP0.16
Rot. Bonds1

About 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one

3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 131688491) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one
PubChem CID131688491
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one
SMILESCN1C[C@@H]2CCN(C(=O)c3cccn(C)c3=O)[C@@H]2C1
InChIInChI=1S/C14H19N3O2/c1-15-8-10-5-7-17(12(10)9-15)14(19)11-4-3-6-16(2)13(11)18/h3-4,6,10,12H,5,7-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyDORCSDYTTCEOHQ-CMPLNLGQSA-N
XLogP0.16
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(2R,3S,6R)-3-(4-methylphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane-5-carbonyl]pyridin-2-one
CID 56893958
[(3aR,7aS)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 99841224
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 155873161
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
[(3aR,7aS)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 166255783
3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 125134550
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 155873390
1-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-3-phenylprop-2-yn-1-one
CID 166281850
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone
CID 131686042
3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 90564410
3-acetyl-1-methylpyridin-2-one
CID 82527252

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one (CID 131688491) is 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one is CN1C[C@@H]2CCN(C(=O)c3cccn(C)c3=O)[C@@H]2C1.
What is the InChIKey of 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is DORCSDYTTCEOHQ-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-8-10-5-7-17(12(10)9-15)14(19)11-4-3-6-16(2)13(11)18/h3-4,6,10,12H,5,7-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one?
3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 131688491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).