3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione

C17H21NO3 — CID 91541905

IUPAC3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCC(CCC2CCC3=CCCC=C3C2=O)C(=O)N1
InChIInChI=1S/C17H21NO3/c19-15-10-9-13(17(21)18-15)8-7-12-6-5-11-3-1-2-4-14(11)16(12)20/h3-4,12-13H,1-2,5-10H2,(H,18,19,21)
InChIKeyFFHORVRKXGKGDN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.45
Rot. Bonds3

About 3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione

3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione (PubChem CID 91541905) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
PubChem CID91541905
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCC(CCC2CCC3=CCCC=C3C2=O)C(=O)N1
InChIInChI=1S/C17H21NO3/c19-15-10-9-13(17(21)18-15)8-7-12-6-5-11-3-1-2-4-14(11)16(12)20/h3-4,12-13H,1-2,5-10H2,(H,18,19,21)
InChIKeyFFHORVRKXGKGDN-UHFFFAOYSA-N
XLogP2.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione (CID 91541905) is 3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione is O=C1CCC(CCC2CCC3=CCCC=C3C2=O)C(=O)N1.
What is the InChIKey of 3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione?
The InChIKey is FFHORVRKXGKGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15-10-9-13(17(21)18-15)8-7-12-6-5-11-3-1-2-4-14(11)16(12)20/h3-4,12-13H,1-2,5-10H2,(H,18,19,21).
What are the key properties of 3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione?
3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-oxo-3,4,6,7-tetrahydro-2H-naphthalen-2-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 91541905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).