2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone

C16H15NO2 — CID 738379

IUPAC2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H15NO2/c1-19-15-9-5-3-7-13(15)16(18)17-11-10-12-6-2-4-8-14(12)17/h2-9H,10-11H2,1H3
InChIKeyGEYKEDMOQPXWDJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.90
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone

2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone (PubChem CID 738379) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone
PubChem CID738379
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H15NO2/c1-19-15-9-5-3-7-13(15)16(18)17-11-10-12-6-2-4-8-14(12)17/h2-9H,10-11H2,1H3
InChIKeyGEYKEDMOQPXWDJ-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone (CID 738379) is 2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone?
The InChIKey is GEYKEDMOQPXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15-9-5-3-7-13(15)16(18)17-11-10-12-6-2-4-8-14(12)17/h2-9H,10-11H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone?
2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone has a molecular weight of 253.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(2-methoxyphenyl)methanone is sourced from PubChem (CID 738379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).