3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione

C15H13NO4 — CID 167071398

IUPAC3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione
SMILESCc1cccc2c(C3CCC(=O)NC3=O)cc(=O)oc12
InChIInChI=1S/C15H13NO4/c1-8-3-2-4-9-11(7-13(18)20-14(8)9)10-5-6-12(17)16-15(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,17,19)
InChIKeyVZXSCAUKRRPVIT-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.62
Rot. Bonds1

About 3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione

3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione (PubChem CID 167071398) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione
PubChem CID167071398
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione
SMILESCc1cccc2c(C3CCC(=O)NC3=O)cc(=O)oc12
InChIInChI=1S/C15H13NO4/c1-8-3-2-4-9-11(7-13(18)20-14(8)9)10-5-6-12(17)16-15(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,17,19)
InChIKeyVZXSCAUKRRPVIT-UHFFFAOYSA-N
XLogP1.62
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione
CID 170181374
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 164563329
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
2-(2,6-dioxopiperidin-3-yl)-5-methylbenzamide
CID 154202178
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 97303764
buta-1,3-diene;3-(4,5-dimethylfuran-3-yl)piperidine-2,6-dione;ethane
CID 177240487
3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
CID 170052283

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione (CID 167071398) is 3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione is Cc1cccc2c(C3CCC(=O)NC3=O)cc(=O)oc12.
What is the InChIKey of 3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione?
The InChIKey is VZXSCAUKRRPVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-8-3-2-4-9-11(7-13(18)20-14(8)9)10-5-6-12(17)16-15(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,17,19).
What are the key properties of 3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione?
3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione has a molecular weight of 271.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 167071398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).