3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one

C21H38N2O2 — CID 170777503

IUPAC3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CC2CN(CC3(COC(C)(C)C)CC3)CC2C1
InChIInChI=1S/C21H38N2O2/c1-19(2,3)9-18(24)23-12-16-10-22(11-17(16)13-23)14-21(7-8-21)15-25-20(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyNUXBYQJMLXPUKY-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.41
Rot. Bonds5

About 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one

3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one (PubChem CID 170777503) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
PubChem CID170777503
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CC2CN(CC3(COC(C)(C)C)CC3)CC2C1
InChIInChI=1S/C21H38N2O2/c1-19(2,3)9-18(24)23-12-16-10-22(11-17(16)13-23)14-21(7-8-21)15-25-20(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyNUXBYQJMLXPUKY-UHFFFAOYSA-N
XLogP3.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one with MolForge

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Related Compounds

3,3-dimethyl-1-[2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
CID 169289992
3-[[1-(2-methylbutan-2-yloxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane
CID 170368803
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3,3-dimethylbutan-1-one
CID 66211596
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine
CID 171611844
1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 118084446
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170369368
tert-butyl 2-[2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 123255292
3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 170276303
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184
1-[2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one
CID 134071375
(3S,4S)-1-(3,3-dimethylbutanoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984219
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603485

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one (CID 170777503) is 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one is CC(C)(C)CC(=O)N1CC2CN(CC3(COC(C)(C)C)CC3)CC2C1.
What is the InChIKey of 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one?
The InChIKey is NUXBYQJMLXPUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-19(2,3)9-18(24)23-12-16-10-22(11-17(16)13-23)14-21(7-8-21)15-25-20(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one?
3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one has a molecular weight of 350.55 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one is sourced from PubChem (CID 170777503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).