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

C13H24N2O — CID 66241880

IUPAC4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1CC1CCOC1
InChIInChI=1S/C13H24N2O/c1-13(2)12-6-14-5-11(12)8-15(13)7-10-3-4-16-9-10/h10-12,14H,3-9H2,1-2H3
InChIKeyJADHNCOHHNAUNC-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.95
Rot. Bonds2

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

4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66241880) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66241880
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1CC1CCOC1
InChIInChI=1S/C13H24N2O/c1-13(2)12-6-14-5-11(12)8-15(13)7-10-3-4-16-9-10/h10-12,14H,3-9H2,1-2H3
InChIKeyJADHNCOHHNAUNC-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66209938
5-(2-bicyclo[2.2.1]heptanylmethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79558166
5-butyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66207819
5-(2-ethylbutyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208395
4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244210
5-decyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243161
(3aS,6aS)-1-(oxolan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 131160645
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone
CID 66241690
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64842063
5-[(5-ethylfuran-2-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242300
5-cyclopropyl-3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
CID 66242358

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66241880) is 4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1CC1CCOC1.
What is the InChIKey of 4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is JADHNCOHHNAUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)12-6-14-5-11(12)8-15(13)7-10-3-4-16-9-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 224.35 g/mol, XLogP of 0.95, 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-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66241880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).