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

C15H28N2O — CID 170676442

IUPAC2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)OCC1(CN2CC3CN(C)CC3C2)CC1
InChIInChI=1S/C15H28N2O/c1-12(2)18-11-15(4-5-15)10-17-8-13-6-16(3)7-14(13)9-17/h12-14H,4-11H2,1-3H3
InChIKeyIVVXXFXMRRYPCR-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.68
Rot. Bonds5

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

2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 170676442) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID170676442
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)OCC1(CN2CC3CN(C)CC3C2)CC1
InChIInChI=1S/C15H28N2O/c1-12(2)18-11-15(4-5-15)10-17-8-13-6-16(3)7-14(13)9-17/h12-14H,4-11H2,1-3H3
InChIKeyIVVXXFXMRRYPCR-UHFFFAOYSA-N
XLogP1.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 170676442) is 2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC(C)OCC1(CN2CC3CN(C)CC3C2)CC1.
What is the InChIKey of 2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is IVVXXFXMRRYPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)18-11-15(4-5-15)10-17-8-13-6-16(3)7-14(13)9-17/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 252.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 170676442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).