3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione

C18H21NO4 — CID 178063132

IUPAC3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione
SMILESCCc1cccc2c1C(=O)C(C1CCC(=O)NC1=O)CCC2O
InChIInChI=1S/C18H21NO4/c1-2-10-4-3-5-13-14(20)8-6-11(17(22)16(10)13)12-7-9-15(21)19-18(12)23/h3-5,11-12,14,20H,2,6-9H2,1H3,(H,19,21,23)
InChIKeyGUOBJEFRQMSVNH-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.93
Rot. Bonds2

About 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione

3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione (PubChem CID 178063132) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione
PubChem CID178063132
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione
SMILESCCc1cccc2c1C(=O)C(C1CCC(=O)NC1=O)CCC2O
InChIInChI=1S/C18H21NO4/c1-2-10-4-3-5-13-14(20)8-6-11(17(22)16(10)13)12-7-9-15(21)19-18(12)23/h3-5,11-12,14,20H,2,6-9H2,1H3,(H,19,21,23)
InChIKeyGUOBJEFRQMSVNH-UHFFFAOYSA-N
XLogP1.93
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 156860734
3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione
CID 166872046
4-(2-ethylphenyl)-5-methylpyrrolidin-2-one
CID 66108905
4-ethyl-3-hydroxy-1,3-dihydroindol-2-one
CID 53484480
(5S)-5-(2-ethylphenyl)pyrrolidin-2-one
CID 130615199
3-(5-ethyl-2-ethylidene-4-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
CID 123615566
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
3-(4-ethyl-1,3-dimethylideneisoindol-2-yl)piperidine-2,6-dione
CID 144735375
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 113306146
1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 154810817
4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 97303764

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione (CID 178063132) is 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione is CCc1cccc2c1C(=O)C(C1CCC(=O)NC1=O)CCC2O.
What is the InChIKey of 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione?
The InChIKey is GUOBJEFRQMSVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-10-4-3-5-13-14(20)8-6-11(17(22)16(10)13)12-7-9-15(21)19-18(12)23/h3-5,11-12,14,20H,2,6-9H2,1H3,(H,19,21,23).
What are the key properties of 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione?
3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione has a molecular weight of 315.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione is sourced from PubChem (CID 178063132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).