4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C13H19N3 — CID 66243194

IUPAC4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1c1ccncc1
InChIInChI=1S/C13H19N3/c1-13(2)12-8-15-7-10(12)9-16(13)11-3-5-14-6-4-11/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyIMHXZEAHIWSGJY-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.52
Rot. Bonds1

About 4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66243194) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66243194
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1c1ccncc1
InChIInChI=1S/C13H19N3/c1-13(2)12-8-15-7-10(12)9-16(13)11-3-5-14-6-4-11/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyIMHXZEAHIWSGJY-UHFFFAOYSA-N
XLogP1.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66243194) is 4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1c1ccncc1.
What is the InChIKey of 4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is IMHXZEAHIWSGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-13(2)12-8-15-7-10(12)9-16(13)11-3-5-14-6-4-11/h3-6,10,12,15H,7-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 217.32 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-pyridin-4-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66243194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).