2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione

C18H15NO3 — CID 168865064

IUPAC2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
SMILESCO[C@H]1Cc2ccccc2[C@@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15NO3/c1-22-15-10-11-6-2-3-7-12(11)16(15)19-17(20)13-8-4-5-9-14(13)18(19)21/h2-9,15-16H,10H2,1H3/t15-,16-/m0/s1
InChIKeyMEWDEUSMBOBGMI-HOTGVXAUSA-N
MW293.32 g/mol
LogP2.60
Rot. Bonds2

About 2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione

2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione (PubChem CID 168865064) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
PubChem CID168865064
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
SMILESCO[C@H]1Cc2ccccc2[C@@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15NO3/c1-22-15-10-11-6-2-3-7-12(11)16(15)19-17(20)13-8-4-5-9-14(13)18(19)21/h2-9,15-16H,10H2,1H3/t15-,16-/m0/s1
InChIKeyMEWDEUSMBOBGMI-HOTGVXAUSA-N
XLogP2.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.60
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-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione (CID 168865064) is 2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione is CO[C@H]1Cc2ccccc2[C@@H]1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione?
The InChIKey is MEWDEUSMBOBGMI-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H15NO3/c1-22-15-10-11-6-2-3-7-12(11)16(15)19-17(20)13-8-4-5-9-14(13)18(19)21/h2-9,15-16H,10H2,1H3/t15-,16-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione?
2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione has a molecular weight of 293.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 168865064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).