2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one

C17H15NO2 — CID 118594278

IUPAC2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
SMILESCC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H15NO2/c1-12(19)16(13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17(18)20/h2-10,16H,11H2,1H3/t16-/m1/s1
InChIKeyUVFCPVDMLFYBSO-MRXNPFEDSA-N
MW265.31 g/mol
LogP2.97
Rot. Bonds3

About 2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one

2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one (PubChem CID 118594278) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
PubChem CID118594278
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
SMILESCC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H15NO2/c1-12(19)16(13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17(18)20/h2-10,16H,11H2,1H3/t16-/m1/s1
InChIKeyUVFCPVDMLFYBSO-MRXNPFEDSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate
CID 161202330
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate
CID 92688363
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 91638506
1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide
CID 124647529
N-(2-morpholin-4-ylethyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 20905548
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 97263101
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-phenylethyl]-3H-isoindol-1-one
CID 155486491
2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 4178065
(2R)-N-(2,5-dichlorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 92688450
2-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
CID 20862743

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one?
The IUPAC name of 2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one (CID 118594278) is 2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one is CC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one?
The InChIKey is UVFCPVDMLFYBSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(19)16(13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17(18)20/h2-10,16H,11H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one?
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one has a molecular weight of 265.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one is sourced from PubChem (CID 118594278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).