2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione

C20H19NO3 — CID 17469781

IUPAC2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)c1cccc2ccccc12
InChIInChI=1S/C20H19NO3/c22-17(16-9-5-7-14-6-1-2-8-15(14)16)13-21-18(23)12-20(19(21)24)10-3-4-11-20/h1-2,5-9H,3-4,10-13H2
InChIKeyXPSYNNDHNANFQA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.34
Rot. Bonds3

About 2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 17469781) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID17469781
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)c1cccc2ccccc12
InChIInChI=1S/C20H19NO3/c22-17(16-9-5-7-14-6-1-2-8-15(14)16)13-21-18(23)12-20(19(21)24)10-3-4-11-20/h1-2,5-9H,3-4,10-13H2
InChIKeyXPSYNNDHNANFQA-UHFFFAOYSA-N
XLogP3.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
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 2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 17469781) is 2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C(CN1C(=O)CC2(CCCC2)C1=O)c1cccc2ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is XPSYNNDHNANFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-17(16-9-5-7-14-6-1-2-8-15(14)16)13-21-18(23)12-20(19(21)24)10-3-4-11-20/h1-2,5-9H,3-4,10-13H2.
What are the key properties of 2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 321.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 17469781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).