1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione

C12H10O2 — CID 123601552

IUPAC1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C12H10O2/c13-11(9-5-1-2-6-9)12(14)10-7-3-4-8-10/h1-5,7H,6,8H2
InChIKeyXQXUKSIHEBSNNN-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.90
Rot. Bonds3

About 1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione

1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione (PubChem CID 123601552) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
PubChem CID123601552
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C12H10O2/c13-11(9-5-1-2-6-9)12(14)10-7-3-4-8-10/h1-5,7H,6,8H2
InChIKeyXQXUKSIHEBSNNN-UHFFFAOYSA-N
XLogP1.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one
CID 12861283
N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide
CID 22887606
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
2,3-di(cyclopenta-1,3-dien-1-yl)but-2-enoic acid
CID 54527252
1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone
CID 15514432
cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine
CID 91339514
2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
CID 517151
cyclohepta-1,3,5-triene-1,3-dicarboxylic acid
CID 174365369
3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid
CID 59440444
N-(1-hydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141292944
cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone
CID 102043267
di(cyclopenta-1,3-dien-1-yl)methylidene-dimethylsilylidenezirconium
CID 173300628

Frequently Asked Questions

What is the IUPAC name of 1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione?
The IUPAC name of 1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione (CID 123601552) is 1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione?
The canonical SMILES for 1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione is O=C(C(=O)C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione?
The InChIKey is XQXUKSIHEBSNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-11(9-5-1-2-6-9)12(14)10-7-3-4-8-10/h1-5,7H,6,8H2.
What are the key properties of 1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione?
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione has a molecular weight of 186.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione is sourced from PubChem (CID 123601552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).