5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione

C19H10O5 — CID 21024157

IUPAC5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)CC2=O)c1ccc2c(c1)C(=O)CC2=O
InChIInChI=1S/C19H10O5/c20-15-7-17(22)13-5-9(1-3-11(13)15)19(24)10-2-4-12-14(6-10)18(23)8-16(12)21/h1-6H,7-8H2
InChIKeyJLGIBEAVRQOEKK-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.46
Rot. Bonds2

About 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione

5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione (PubChem CID 21024157) has the molecular formula C19H10O5 and a molecular weight of 318.28 g/mol. Its IUPAC name is 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione
PubChem CID21024157
Molecular FormulaC19H10O5
Molecular Weight318.28 g/mol
Exact Mass318.05
IUPAC Name5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)CC2=O)c1ccc2c(c1)C(=O)CC2=O
InChIInChI=1S/C19H10O5/c20-15-7-17(22)13-5-9(1-3-11(13)15)19(24)10-2-4-12-14(6-10)18(23)8-16(12)21/h1-6H,7-8H2
InChIKeyJLGIBEAVRQOEKK-UHFFFAOYSA-N
XLogP2.46
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
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'}

Analyze 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione
CID 167616172
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
7-(1,3-dioxo-2-benzofuran-5-carbonyl)-4H-isochromene-1,3-dione
CID 163799436
7-(1,3-dioxo-2-benzofuran-5-carbonyl)-1,5-dihydro-3-benzoxepine-2,4-dione
CID 163894661
2-(cyclohexanecarbonyl)-5-[2-(cyclohexanecarbonyl)-1,3-dioxoindene-5-carbonyl]indene-1,3-dione
CID 163236581
5-(4-fluorobenzoyl)-2-[4-[5-(4-fluorobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 102076477
2-[(2S)-azetidine-2-carbonyl]-5-[2-[(2S)-azetidine-2-carbonyl]-1,3-dioxoindene-5-carbonyl]indene-1,3-dione
CID 163236534
5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione
CID 761887
5-(2-chloroethyl)indene-1,3-dione
CID 158287188
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]benzoyl]phenoxy]-2-benzofuran-1,3-dione
CID 10874832

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione?
The IUPAC name of 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione (CID 21024157) is 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione?
The canonical SMILES for 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione is O=C(c1ccc2c(c1)C(=O)CC2=O)c1ccc2c(c1)C(=O)CC2=O.
What is the InChIKey of 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione?
The InChIKey is JLGIBEAVRQOEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10O5/c20-15-7-17(22)13-5-9(1-3-11(13)15)19(24)10-2-4-12-14(6-10)18(23)8-16(12)21/h1-6H,7-8H2.
What are the key properties of 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione?
5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione has a molecular weight of 318.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoindene-5-carbonyl)indene-1,3-dione is sourced from PubChem (CID 21024157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).