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

C9H18N2 — CID 131631953

IUPAC5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCN1CC2CNCC2(C)C1
InChIInChI=1S/C9H18N2/c1-3-11-5-8-4-10-6-9(8,2)7-11/h8,10H,3-7H2,1-2H3
InChIKeyFYZZPSKBMZDJPF-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.55
Rot. Bonds1

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

5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 131631953) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID131631953
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCN1CC2CNCC2(C)C1
InChIInChI=1S/C9H18N2/c1-3-11-5-8-4-10-6-9(8,2)7-11/h8,10H,3-7H2,1-2H3
InChIKeyFYZZPSKBMZDJPF-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

(3aR,6aR)-5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 125451920
(3aS,6aS)-5-benzyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 125461885
ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane
CID 91180969
5-tert-butyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 176600869
(3aS,6aR)-5-tert-butyl-2-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 167645455
(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)alumane
CID 147614722
6-ethyl-1,2,2-trimethylpiperazine
CID 82416007
(3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
CID 15644941
1-ethyl-4-[(3-methylazetidin-3-yl)methyl]piperazine
CID 130854837
3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane
CID 90707566
1-ethyl-4,4-dimethylpyrrolidin-3-ol
CID 121207274
tert-butyl 3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate;hydrochloride
CID 138106317

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 131631953) is 5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CCN1CC2CNCC2(C)C1.
What is the InChIKey of 5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is FYZZPSKBMZDJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-11-5-8-4-10-6-9(8,2)7-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 154.26 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 131631953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).