2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione

C16H22N2O2 — CID 20537694

IUPAC2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione
SMILESCC1=C(N2CCCC2)C(=O)C(C)=C(N2CCCC2)C1=O
InChIInChI=1S/C16H22N2O2/c1-11-13(17-7-3-4-8-17)16(20)12(2)14(15(11)19)18-9-5-6-10-18/h3-10H2,1-2H3
InChIKeyJUWPLNFPSQQQBY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.88
Rot. Bonds2

About 2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione

2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione (PubChem CID 20537694) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione
PubChem CID20537694
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione
SMILESCC1=C(N2CCCC2)C(=O)C(C)=C(N2CCCC2)C1=O
InChIInChI=1S/C16H22N2O2/c1-11-13(17-7-3-4-8-17)16(20)12(2)14(15(11)19)18-9-5-6-10-18/h3-10H2,1-2H3
InChIKeyJUWPLNFPSQQQBY-UHFFFAOYSA-N
XLogP1.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione (CID 20537694) is 2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione is CC1=C(N2CCCC2)C(=O)C(C)=C(N2CCCC2)C1=O.
What is the InChIKey of 2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is JUWPLNFPSQQQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-13(17-7-3-4-8-17)16(20)12(2)14(15(11)19)18-9-5-6-10-18/h3-10H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione?
2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 274.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,6-dipyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 20537694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).