2-[(1S)-1-phenylpropyl]isoindole-1,3-dione

C17H15NO2 — CID 174517685

IUPAC2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
SMILESCC[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15NO2/c1-2-15(12-8-4-3-5-9-12)18-16(19)13-10-6-7-11-14(13)17(18)20/h3-11,15H,2H2,1H3/t15-/m0/s1
InChIKeyMTNQQWLQMWOYNH-HNNXBMFYSA-N
MW265.31 g/mol
LogP3.43
Rot. Bonds3

About 2-[(1S)-1-phenylpropyl]isoindole-1,3-dione

2-[(1S)-1-phenylpropyl]isoindole-1,3-dione (PubChem CID 174517685) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(1S)-1-phenylpropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
PubChem CID174517685
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
SMILESCC[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15NO2/c1-2-15(12-8-4-3-5-9-12)18-16(19)13-10-6-7-11-14(13)17(18)20/h3-11,15H,2H2,1H3/t15-/m0/s1
InChIKeyMTNQQWLQMWOYNH-HNNXBMFYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-3-amino-1-phenylpropyl]isoindole-1,3-dione
CID 70370419
(3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
CID 762962
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2-[(1S)-2-(3,5-dimethylphenoxy)-1-phenylethyl]isoindole-1,3-dione
CID 139789655
ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoate
CID 46253541
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184
2-[1-(4-fluorophenyl)-3,3-dimethylbutyl]isoindole-1,3-dione
CID 132851504
3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 3121010
2-chloroethyl (3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 25419800
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid
CID 774771
1-[2-(1,3-dioxoisoindol-2-yl)-2-phenylethyl]-3-(4-methylphenyl)urea
CID 50740575
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-phenylpropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S)-1-phenylpropyl]isoindole-1,3-dione (CID 174517685) is 2-[(1S)-1-phenylpropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S)-1-phenylpropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S)-1-phenylpropyl]isoindole-1,3-dione is CC[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1S)-1-phenylpropyl]isoindole-1,3-dione?
The InChIKey is MTNQQWLQMWOYNH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-15(12-8-4-3-5-9-12)18-16(19)13-10-6-7-11-14(13)17(18)20/h3-11,15H,2H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-phenylpropyl]isoindole-1,3-dione?
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione has a molecular weight of 265.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-phenylpropyl]isoindole-1,3-dione is sourced from PubChem (CID 174517685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).