6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C13H10N2O2 — CID 143990894

IUPAC6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESC#Cc1ccc2c(c1)CCC21NC(=O)NC1=O
InChIInChI=1S/C13H10N2O2/c1-2-8-3-4-10-9(7-8)5-6-13(10)11(16)14-12(17)15-13/h1,3-4,7H,5-6H2,(H2,14,15,16,17)
InChIKeyVWLLFGZDKUYUBU-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.65
Rot. Bonds

About 6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 143990894) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID143990894
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESC#Cc1ccc2c(c1)CCC21NC(=O)NC1=O
InChIInChI=1S/C13H10N2O2/c1-2-8-3-4-10-9(7-8)5-6-13(10)11(16)14-12(17)15-13/h1,3-4,7H,5-6H2,(H2,14,15,16,17)
InChIKeyVWLLFGZDKUYUBU-UHFFFAOYSA-N
XLogP0.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 21162203
6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 10869704
(3R)-6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 118958026
6-[2-[(4S)-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 70889889
N-(2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl)acetamide
CID 118956972
(3R)-5-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 154872521
6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 11076488
6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 91607903
5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 159239246
7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 18354311
7-ethynyl-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 156754029
7-ethynyl-3,4-dihydroisochromen-1-one
CID 167723010

Frequently Asked Questions

What is the IUPAC name of 6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 143990894) is 6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is C#Cc1ccc2c(c1)CCC21NC(=O)NC1=O.
What is the InChIKey of 6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is VWLLFGZDKUYUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-2-8-3-4-10-9(7-8)5-6-13(10)11(16)14-12(17)15-13/h1,3-4,7H,5-6H2,(H2,14,15,16,17).
What are the key properties of 6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 226.24 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 143990894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).