5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C14H20N2 — CID 12958534

IUPAC5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(Cc3ccccc3)CC2C1
InChIInChI=1S/C14H20N2/c1-15-8-13-10-16(11-14(13)9-15)7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyTWPUPYDZIUZHII-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.68
Rot. Bonds2

About 5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 12958534) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID12958534
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(Cc3ccccc3)CC2C1
InChIInChI=1S/C14H20N2/c1-15-8-13-10-16(11-14(13)9-15)7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyTWPUPYDZIUZHII-UHFFFAOYSA-N
XLogP1.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 12958534) is 5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1CC2CN(Cc3ccccc3)CC2C1.
What is the InChIKey of 5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is TWPUPYDZIUZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-15-8-13-10-16(11-14(13)9-15)7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of 5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 216.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 12958534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).