1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one

C18H19NO2 — CID 898384

IUPAC1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-21-16-9-6-14(7-10-16)8-11-18(20)19-13-12-15-4-2-3-5-17(15)19/h2-7,9-10H,8,11-13H2,1H3
InChIKeyYNLDGIXBZMPJDY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.22
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one

1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 898384) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID898384
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-21-16-9-6-14(7-10-16)8-11-18(20)19-13-12-15-4-2-3-5-17(15)19/h2-7,9-10H,8,11-13H2,1H3
InChIKeyYNLDGIXBZMPJDY-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one (CID 898384) is 1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is YNLDGIXBZMPJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-16-9-6-14(7-10-16)8-11-18(20)19-13-12-15-4-2-3-5-17(15)19/h2-7,9-10H,8,11-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 898384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).