2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

C16H29N3O2 — CID 66244832

IUPAC2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CC3CNCC3C2(C)C)CC(C)O1
InChIInChI=1S/C16H29N3O2/c1-11-7-18(8-12(2)21-11)15(20)10-19-9-13-5-17-6-14(13)16(19,3)4/h11-14,17H,5-10H2,1-4H3
InChIKeyARMHNZORXKCHBD-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.55
Rot. Bonds2

About 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 66244832) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID66244832
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CC3CNCC3C2(C)C)CC(C)O1
InChIInChI=1S/C16H29N3O2/c1-11-7-18(8-12(2)21-11)15(20)10-19-9-13-5-17-6-14(13)16(19,3)4/h11-14,17H,5-10H2,1-4H3
InChIKeyARMHNZORXKCHBD-UHFFFAOYSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone with MolForge

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Related Compounds

2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide
CID 66244844
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66244638
1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one
CID 66244849
2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 122558292
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 66244631
(2S)-1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-2-ol
CID 106933586
5-decyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243161
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 66244013
5-butyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66207819
2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 66187363
1-(2,6-dimethylmorpholin-4-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282275
1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 66244832) is 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CC3CNCC3C2(C)C)CC(C)O1.
What is the InChIKey of 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is ARMHNZORXKCHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11-7-18(8-12(2)21-11)15(20)10-19-9-13-5-17-6-14(13)16(19,3)4/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 295.43 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 66244832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).