3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one

C21H19NO2 — CID 132533577

IUPAC3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one
SMILESC=CCN1C(=O)c2ccccc2C1C1C(=O)CCc2ccccc21
InChIInChI=1S/C21H19NO2/c1-2-13-22-20(16-9-5-6-10-17(16)21(22)24)19-15-8-4-3-7-14(15)11-12-18(19)23/h2-10,19-20H,1,11-13H2
InChIKeyJMPBBXUZVOFKMT-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.67
Rot. Bonds3

About 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one

3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one (PubChem CID 132533577) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one
PubChem CID132533577
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one
SMILESC=CCN1C(=O)c2ccccc2C1C1C(=O)CCc2ccccc21
InChIInChI=1S/C21H19NO2/c1-2-13-22-20(16-9-5-6-10-17(16)21(22)24)19-15-8-4-3-7-14(15)11-12-18(19)23/h2-10,19-20H,1,11-13H2
InChIKeyJMPBBXUZVOFKMT-UHFFFAOYSA-N
XLogP3.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one with MolForge

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Related Compounds

1-oxo-2-prop-2-enyl-3,4-dihydroisoquinoline-3-carboxylic acid
CID 82363873
2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione
CID 23283664
3-(4-methylphenyl)sulfonyl-2-prop-2-enyl-3H-isoindol-1-one
CID 102139926
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590
2-prop-2-enyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 46933099
propane;2-prop-2-enyl-3,4-dihydroisoquinolin-1-one
CID 91165098
5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
CID 67733933
2-prop-2-enyl-4H-isoquinoline-1,3-dione
CID 58158111
cyclohexane;1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;formic acid
CID 161462755
3-but-3-enyl-2-methyl-3H-isoindol-1-one
CID 138969079
3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one
CID 20693098
1-(2-oxo-3,4-dihydro-1H-naphthalene-1-carbonyl)-3,4-dihydro-1H-naphthalen-2-one
CID 175094651

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one?
The IUPAC name of 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one (CID 132533577) is 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one.
What is the SMILES notation for 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one?
The canonical SMILES for 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one is C=CCN1C(=O)c2ccccc2C1C1C(=O)CCc2ccccc21.
What is the InChIKey of 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one?
The InChIKey is JMPBBXUZVOFKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-2-13-22-20(16-9-5-6-10-17(16)21(22)24)19-15-8-4-3-7-14(15)11-12-18(19)23/h2-10,19-20H,1,11-13H2.
What are the key properties of 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one?
3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one has a molecular weight of 317.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)-2-prop-2-enyl-3H-isoindol-1-one is sourced from PubChem (CID 132533577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).