2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione

C22H15NO5 — CID 171573692

IUPAC2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C1(C2C(=O)c3ccccc3C2=O)CCNC1=O
InChIInChI=1S/C22H15NO5/c24-17-11-5-1-2-6-12(11)18(25)15(17)22(9-10-23-21(22)28)16-19(26)13-7-3-4-8-14(13)20(16)27/h1-8,15-16H,9-10H2,(H,23,28)
InChIKeyDQTGQYMUMHSQGS-UHFFFAOYSA-N
MW373.36 g/mol
LogP1.88
Rot. Bonds2

About 2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione

2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione (PubChem CID 171573692) has the molecular formula C22H15NO5 and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione.

Molecular Properties

Compound Name2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione
PubChem CID171573692
Molecular FormulaC22H15NO5
Molecular Weight373.36 g/mol
Exact Mass373.10
IUPAC Name2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C1(C2C(=O)c3ccccc3C2=O)CCNC1=O
InChIInChI=1S/C22H15NO5/c24-17-11-5-1-2-6-12(11)18(25)15(17)22(9-10-23-21(22)28)16-19(26)13-7-3-4-8-14(13)20(16)27/h1-8,15-16H,9-10H2,(H,23,28)
InChIKeyDQTGQYMUMHSQGS-UHFFFAOYSA-N
XLogP1.88
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

spiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 170518385
1-(1,3-dioxoinden-2-yl)cyclohexane-1-carboxylic acid
CID 175452386
spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105442633
spiro[3H-indene-2,3'-piperidine]-1,2'-dione
CID 121207629
3-benzyl-3-methylpyrrolidin-2-one
CID 10420013
3-(1-ethenylcyclohexyl)naphthalene-1,2,4-trione
CID 57253799
(2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 90016611
4,4-diphenyl-1,3-diazinan-2-one
CID 23879283
2-hydroxyindene-1,3-dione
CID 10219583
(4aS,9aS)-1,4,4a,9a-tetrahydroanthracene-9,10-dione
CID 98115769
2-tert-butylindene-1,3-dione
CID 10081566
1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione
CID 90259431

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione?
The IUPAC name of 2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione (CID 171573692) is 2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione.
What is the SMILES notation for 2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione?
The canonical SMILES for 2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione is O=C1c2ccccc2C(=O)C1C1(C2C(=O)c3ccccc3C2=O)CCNC1=O.
What is the InChIKey of 2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione?
The InChIKey is DQTGQYMUMHSQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO5/c24-17-11-5-1-2-6-12(11)18(25)15(17)22(9-10-23-21(22)28)16-19(26)13-7-3-4-8-14(13)20(16)27/h1-8,15-16H,9-10H2,(H,23,28).
What are the key properties of 2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione?
2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione has a molecular weight of 373.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxoinden-2-yl)-2-oxopyrrolidin-3-yl]indene-1,3-dione is sourced from PubChem (CID 171573692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).