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

C9H18N2 — CID 126796965

IUPAC3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1CC2(C)CNCC2(C)C1
InChIInChI=1S/C9H18N2/c1-8-4-10-5-9(8,2)7-11(3)6-8/h10H,4-7H2,1-3H3
InChIKeyHUJAYOROWVAELT-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.55
Rot. Bonds

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

3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 126796965) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID126796965
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1CC2(C)CNCC2(C)C1
InChIInChI=1S/C9H18N2/c1-8-4-10-5-9(8,2)7-11(3)6-8/h10H,4-7H2,1-3H3
InChIKeyHUJAYOROWVAELT-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (CID 126796965) is 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is CN1CC2(C)CNCC2(C)C1.
What is the InChIKey of 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is HUJAYOROWVAELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-4-10-5-9(8,2)7-11(3)6-8/h10H,4-7H2,1-3H3.
What are the key properties of 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 154.26 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126796965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).