2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile

C20H17N3O4 — CID 136577003

IUPAC2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C20H17N3O4/c21-13-14-5-1-3-7-16(14)27-12-10-23-18(24)20(22-19(23)25)9-11-26-17-8-4-2-6-15(17)20/h1-8H,9-12H2,(H,22,25)
InChIKeyWZXVMARKPAYRJG-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.17
Rot. Bonds4

About 2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile

2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile (PubChem CID 136577003) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile
PubChem CID136577003
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C20H17N3O4/c21-13-14-5-1-3-7-16(14)27-12-10-23-18(24)20(22-19(23)25)9-11-26-17-8-4-2-6-15(17)20/h1-8H,9-12H2,(H,22,25)
InChIKeyWZXVMARKPAYRJG-UHFFFAOYSA-N
XLogP2.17
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3'-(2-phenoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 4876938
(4S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 8005827
5-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-2,2-dimethylpentanenitrile
CID 136512190
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
4-[2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]ethoxy]benzonitrile
CID 51447055
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
3'-(2-hydroxy-3-phenoxypropyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17446580
(4R)-3'-[(2-bromo-4,5-diethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41096337
(4R)-3'-[2-(2-chlorophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666015
N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 43011070
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile (CID 136577003) is 2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile is N#Cc1ccccc1OCCN1C(=O)NC2(CCOc3ccccc32)C1=O.
What is the InChIKey of 2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile?
The InChIKey is WZXVMARKPAYRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c21-13-14-5-1-3-7-16(14)27-12-10-23-18(24)20(22-19(23)25)9-11-26-17-8-4-2-6-15(17)20/h1-8H,9-12H2,(H,22,25).
What are the key properties of 2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile?
2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile has a molecular weight of 363.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)ethoxy]benzonitrile is sourced from PubChem (CID 136577003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).