(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal

C17H13NO3 — CID 11572698

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal
SMILESO=C[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO3/c19-11-13(10-12-6-2-1-3-7-12)18-16(20)14-8-4-5-9-15(14)17(18)21/h1-9,11,13H,10H2/t13-/m1/s1
InChIKeyISMBFVPJZNZPSR-CYBMUJFWSA-N
MW279.30 g/mol
LogP2.09
Rot. Bonds4

About (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal

(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal (PubChem CID 11572698) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal
PubChem CID11572698
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal
SMILESO=C[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO3/c19-11-13(10-12-6-2-1-3-7-12)18-16(20)14-8-4-5-9-15(14)17(18)21/h1-9,11,13H,10H2/t13-/m1/s1
InChIKeyISMBFVPJZNZPSR-CYBMUJFWSA-N
XLogP2.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-dioxoisoindol-2-yl)pentanal
CID 171511019
(2S)-2-(2,6-dioxopiperidin-1-yl)-3-phenylpropanal
CID 173472784
(4S)-4-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-5-oxopentanamide
CID 101025867
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanal
CID 18607607
(2R)-5-amino-2-(1,3-dioxoisoindol-2-yl)-5-hydroxypentanal
CID 145481860
methyl 4-(1,3-dioxoisoindol-2-yl)-5-oxopentanoate
CID 170747823
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
2-(1,3-dioxoisoindol-2-yl)-4,4,4-trifluorobutanal
CID 175903469
ethyl (E,4S)-4-(1,3-dioxoisoindol-2-yl)-2-methyl-5-phenylpent-2-enoate
CID 135017924
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 6919275
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal (CID 11572698) is (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal is O=C[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal?
The InChIKey is ISMBFVPJZNZPSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H13NO3/c19-11-13(10-12-6-2-1-3-7-12)18-16(20)14-8-4-5-9-15(14)17(18)21/h1-9,11,13H,10H2/t13-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal?
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal has a molecular weight of 279.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal is sourced from PubChem (CID 11572698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).