4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C13H24N2O — CID 66243797

IUPAC4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1CC1CCCO1
InChIInChI=1S/C13H24N2O/c1-13(2)12-7-14-6-10(12)8-15(13)9-11-4-3-5-16-11/h10-12,14H,3-9H2,1-2H3
InChIKeyXIFJAIXWXRTRMO-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds2

About 4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66243797) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66243797
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1CC1CCCO1
InChIInChI=1S/C13H24N2O/c1-13(2)12-7-14-6-10(12)8-15(13)9-11-4-3-5-16-11/h10-12,14H,3-9H2,1-2H3
InChIKeyXIFJAIXWXRTRMO-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66241880
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
4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244210
5-(2-ethylbutyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208395
5-decyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243161
5-cyclobutyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66209167
2,2-dimethyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine
CID 64839838
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
2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol
CID 117019517
2-[5,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]acetonitrile
CID 117018587
2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine
CID 64838500
5-[(4-chlorothiophen-2-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79426863

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66243797) is 4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1CC1CCCO1.
What is the InChIKey of 4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is XIFJAIXWXRTRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)12-7-14-6-10(12)8-15(13)9-11-4-3-5-16-11/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 224.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66243797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).