2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

C9H18N2 — CID 126735749

IUPAC2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(C)CC2(C)C1
InChIInChI=1S/C9H18N2/c1-9-6-10(2)4-8(9)5-11(3)7-9/h8H,4-7H2,1-3H3
InChIKeyUZUGSXUWXUCCJO-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.50
Rot. Bonds

About 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 126735749) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID126735749
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(C)CC2(C)C1
InChIInChI=1S/C9H18N2/c1-9-6-10(2)4-8(9)5-11(3)7-9/h8H,4-7H2,1-3H3
InChIKeyUZUGSXUWXUCCJO-UHFFFAOYSA-N
XLogP0.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (CID 126735749) is 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is CN1CC2CN(C)CC2(C)C1.
What is the InChIKey of 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is UZUGSXUWXUCCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9-6-10(2)4-8(9)5-11(3)7-9/h8H,4-7H2,1-3H3.
What are the key properties of 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 154.26 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,5-trimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126735749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).