1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one

C15H26N2O2 — CID 66244385

IUPAC1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCC1(C)C2CNCC2CN1C(=O)CCC1CCCO1
InChIInChI=1S/C15H26N2O2/c1-15(2)13-9-16-8-11(13)10-17(15)14(18)6-5-12-4-3-7-19-12/h11-13,16H,3-10H2,1-2H3
InChIKeyUJHGTMGETYSJFA-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.40
Rot. Bonds3

About 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one

1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 66244385) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID66244385
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCC1(C)C2CNCC2CN1C(=O)CCC1CCCO1
InChIInChI=1S/C15H26N2O2/c1-15(2)13-9-16-8-11(13)10-17(15)14(18)6-5-12-4-3-7-19-12/h11-13,16H,3-10H2,1-2H3
InChIKeyUJHGTMGETYSJFA-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243797
3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazine-2,6-dione
CID 66074953
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone
CID 66241690
3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one
CID 63362415
1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951966
N-(azetidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 66187540
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-phenylethanone
CID 66243746
1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 63106049
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 79031161
1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951169

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one (CID 66244385) is 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one is CC1(C)C2CNCC2CN1C(=O)CCC1CCCO1.
What is the InChIKey of 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is UJHGTMGETYSJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2)13-9-16-8-11(13)10-17(15)14(18)6-5-12-4-3-7-19-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one?
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 66244385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).