5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C14H26N2O — CID 174181870

IUPAC5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCOCC1(CN2CC3CN(C)CC3C2)CC1
InChIInChI=1S/C14H26N2O/c1-3-17-11-14(4-5-14)10-16-8-12-6-15(2)7-13(12)9-16/h12-13H,3-11H2,1-2H3
InChIKeyAREYVZZQVUIXLL-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.30
Rot. Bonds5

About 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 174181870) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID174181870
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCOCC1(CN2CC3CN(C)CC3C2)CC1
InChIInChI=1S/C14H26N2O/c1-3-17-11-14(4-5-14)10-16-8-12-6-15(2)7-13(12)9-16/h12-13H,3-11H2,1-2H3
InChIKeyAREYVZZQVUIXLL-UHFFFAOYSA-N
XLogP1.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 174181870) is 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CCOCC1(CN2CC3CN(C)CC3C2)CC1.
What is the InChIKey of 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is AREYVZZQVUIXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-17-11-14(4-5-14)10-16-8-12-6-15(2)7-13(12)9-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 238.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(ethoxymethyl)cyclopropyl]methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 174181870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).