4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C13H24N2O — CID 82717838

IUPAC4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C1CCOC1C
InChIInChI=1S/C13H24N2O/c1-3-12-11-7-14-6-10(11)8-15(12)13-4-5-16-9(13)2/h9-14H,3-8H2,1-2H3
InChIKeyXZZLAAPKKSQDRI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.09
Rot. Bonds2

About 4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 82717838) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID82717838
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C1CCOC1C
InChIInChI=1S/C13H24N2O/c1-3-12-11-7-14-6-10(11)8-15(12)13-4-5-16-9(13)2/h9-14H,3-8H2,1-2H3
InChIKeyXZZLAAPKKSQDRI-UHFFFAOYSA-N
XLogP1.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 82717838) is 4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1C1CCOC1C.
What is the InChIKey of 4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is XZZLAAPKKSQDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-12-11-7-14-6-10(11)8-15(12)13-4-5-16-9(13)2/h9-14H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 224.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-methyloxolan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 82717838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).