spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione

C14H13NO3 — CID 17928

IUPACspiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione
SMILESO=C1CCC2(CCC(=O)c3ccccc32)C(=O)N1
InChIInChI=1S/C14H13NO3/c16-11-5-7-14(8-6-12(17)15-13(14)18)10-4-2-1-3-9(10)11/h1-4H,5-8H2,(H,15,17,18)
InChIKeyWZAIVXXKOAWTGQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.34
Rot. Bonds

About spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione

spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione (PubChem CID 17928) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione.

Molecular Properties

Compound Namespiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione
PubChem CID17928
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namespiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione
SMILESO=C1CCC2(CCC(=O)c3ccccc32)C(=O)N1
InChIInChI=1S/C14H13NO3/c16-11-5-7-14(8-6-12(17)15-13(14)18)10-4-2-1-3-9(10)11/h1-4H,5-8H2,(H,15,17,18)
InChIKeyWZAIVXXKOAWTGQ-UHFFFAOYSA-N
XLogP1.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glutethimide
CID 3487
Naphthalimide
CID 66491
4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione
CID 338030
Glutarimide, 2-methyl-2-phenyl-
CID 203309
(4Z)-4-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]isoquinoline-1,3-dione
CID 168287087
6-(3-acetylphenyl)-4H-isoquinoline-1,3-dione
CID 122483585
1,3(2H,4H)-Isoquinolinedione, 4,4-diallyl-
CID 38754
2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
CID 13558146
2',3'-dihydro-1'H-spiro(cyclopropane-1,4'-isoquinoline)-1',3'-dione
CID 57336667
(4E)-4-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]isoquinoline-1,3-dione
CID 168274247
spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-2',6'-dione
CID 12790938
6-benzyl-4H-isoquinoline-1,3-dione
CID 122483613

Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione?
The IUPAC name of spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione (CID 17928) is spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione.
What is the SMILES notation for spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione?
The canonical SMILES for spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione is O=C1CCC2(CCC(=O)c3ccccc32)C(=O)N1.
What is the InChIKey of spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione?
The InChIKey is WZAIVXXKOAWTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-11-5-7-14(8-6-12(17)15-13(14)18)10-4-2-1-3-9(10)11/h1-4H,5-8H2,(H,15,17,18).
What are the key properties of spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione?
spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione has a molecular weight of 243.26 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione is sourced from PubChem (CID 17928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).