1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione

C10H12N2O2 — CID 10954385

IUPAC1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CC=CC1)N1CC=CC1
InChIInChI=1S/C10H12N2O2/c13-9(11-5-1-2-6-11)10(14)12-7-3-4-8-12/h1-4H,5-8H2
InChIKeyJAQNUIAFQMNEAT-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.22
Rot. Bonds

About 1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione

1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione (PubChem CID 10954385) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione
PubChem CID10954385
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CC=CC1)N1CC=CC1
InChIInChI=1S/C10H12N2O2/c13-9(11-5-1-2-6-11)10(14)12-7-3-4-8-12/h1-4H,5-8H2
InChIKeyJAQNUIAFQMNEAT-UHFFFAOYSA-N
XLogP-0.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione (CID 10954385) is 1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione is O=C(C(=O)N1CC=CC1)N1CC=CC1.
What is the InChIKey of 1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione?
The InChIKey is JAQNUIAFQMNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-9(11-5-1-2-6-11)10(14)12-7-3-4-8-12/h1-4H,5-8H2.
What are the key properties of 1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione?
1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione has a molecular weight of 192.22 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione is sourced from PubChem (CID 10954385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).