2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione

C14H14N2O2 — CID 15664198

IUPAC2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=C(N2CC=CC2)C(=O)C=C1N1CC=CC1
InChIInChI=1S/C14H14N2O2/c17-13-10-12(16-7-3-4-8-16)14(18)9-11(13)15-5-1-2-6-15/h1-4,9-10H,5-8H2
InChIKeyRAGBHSJPDIHGOO-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.65
Rot. Bonds2

About 2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione

2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 15664198) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione
PubChem CID15664198
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=C(N2CC=CC2)C(=O)C=C1N1CC=CC1
InChIInChI=1S/C14H14N2O2/c17-13-10-12(16-7-3-4-8-16)14(18)9-11(13)15-5-1-2-6-15/h1-4,9-10H,5-8H2
InChIKeyRAGBHSJPDIHGOO-UHFFFAOYSA-N
XLogP0.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.65
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-Bis(dimethylamino)-2,5-cyclohexadiene-1,4-dione
CID 96304
2-Dimethylamino-1,4-benzoquinone
CID 199283
2,5-Bis[methyl(propan-2-yl)amino]cyclohexa-2,5-diene-1,4-dione
CID 234567
2,5-Bis(diethylamino)cyclohexa-2,5-diene-1,4-dione
CID 233567
2,5-Bis(allylamino)cyclohexa-2,5-diene-1,4-dione
CID 1859512
5-(2,5-Dihydropyrrol-1-yl)-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
CID 15664197
3-Diethylaminoquinone
CID 15209872
2-Di-n-propylamino-p-benzochinon
CID 23238088
2-Di-n-butylamino-p-benzochinon
CID 23238089
2,5-Bis(dipropylamino)cyclohexa-2,5-diene-1,4-dione
CID 234164
5-methyl-3H-indolizin-2-one
CID 12694362
7H-indolizin-1-one
CID 20458680

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione (CID 15664198) is 2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione is O=C1C=C(N2CC=CC2)C(=O)C=C1N1CC=CC1.
What is the InChIKey of 2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is RAGBHSJPDIHGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-10-12(16-7-3-4-8-16)14(18)9-11(13)15-5-1-2-6-15/h1-4,9-10H,5-8H2.
What are the key properties of 2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione?
2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 242.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,5-dihydropyrrol-1-yl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 15664198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).