2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione

C18H13NO3 — CID 23283664

IUPAC2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione
SMILESO=C1CCc2ccccc2C1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H13NO3/c20-15-10-9-11-5-1-2-6-12(11)16(15)19-17(21)13-7-3-4-8-14(13)18(19)22/h1-8,16H,9-10H2
InChIKeyLTNGKYFQCQGPLH-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.54
Rot. Bonds1

About 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione

2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione (PubChem CID 23283664) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione
PubChem CID23283664
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione
SMILESO=C1CCc2ccccc2C1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H13NO3/c20-15-10-9-11-5-1-2-6-12(11)16(15)19-17(21)13-7-3-4-8-14(13)18(19)22/h1-8,16H,9-10H2
InChIKeyLTNGKYFQCQGPLH-UHFFFAOYSA-N
XLogP2.54
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.54
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-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione (CID 23283664) is 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione is O=C1CCc2ccccc2C1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione?
The InChIKey is LTNGKYFQCQGPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-15-10-9-11-5-1-2-6-12(11)16(15)19-17(21)13-7-3-4-8-14(13)18(19)22/h1-8,16H,9-10H2.
What are the key properties of 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione?
2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione has a molecular weight of 291.31 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 23283664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).