2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

C11H18N2 — CID 130612740

IUPAC2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESC=CCN1CC2=C(CN(CC)C2)C1
InChIInChI=1S/C11H18N2/c1-3-5-13-8-10-6-12(4-2)7-11(10)9-13/h3H,1,4-9H2,2H3
InChIKeyUAXLULFSRWMCLZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.12
Rot. Bonds3

About 2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 130612740) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID130612740
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESC=CCN1CC2=C(CN(CC)C2)C1
InChIInChI=1S/C11H18N2/c1-3-5-13-8-10-6-12(4-2)7-11(10)9-13/h3H,1,4-9H2,2H3
InChIKeyUAXLULFSRWMCLZ-UHFFFAOYSA-N
XLogP1.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 130612740) is 2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is C=CCN1CC2=C(CN(CC)C2)C1.
What is the InChIKey of 2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is UAXLULFSRWMCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-5-13-8-10-6-12(4-2)7-11(10)9-13/h3H,1,4-9H2,2H3.
What are the key properties of 2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 178.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 130612740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).