methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate

C23H21N3O5 — CID 55514918

IUPACmethyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C23H21N3O5/c1-31-20(28)16-6-7-18-15(12-16)9-11-25(18)19(27)13-26-21(29)23(24-22(26)30)10-8-14-4-2-3-5-17(14)23/h2-7,12H,8-11,13H2,1H3,(H,24,30)
InChIKeyKTZRZIVIXNGHFF-UHFFFAOYSA-N
MW419.44 g/mol
LogP1.76
Rot. Bonds3

About methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 55514918) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate
PubChem CID55514918
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Namemethyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C23H21N3O5/c1-31-20(28)16-6-7-18-15(12-16)9-11-25(18)19(27)13-26-21(29)23(24-22(26)30)10-8-14-4-2-3-5-17(14)23/h2-7,12H,8-11,13H2,1H3,(H,24,30)
InChIKeyKTZRZIVIXNGHFF-UHFFFAOYSA-N
XLogP1.76
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 51.76
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

(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2464913
methyl 4-[[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]methyl]benzoate
CID 2705977
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18075337
3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 46635294
ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
(5S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 41138995
tert-butyl 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetate
CID 40857312
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 4790868

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate (CID 55514918) is methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.
What is the InChIKey of methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is KTZRZIVIXNGHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-31-20(28)16-6-7-18-15(12-16)9-11-25(18)19(27)13-26-21(29)23(24-22(26)30)10-8-14-4-2-3-5-17(14)23/h2-7,12H,8-11,13H2,1H3,(H,24,30).
What are the key properties of methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 419.44 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55514918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).