1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one

C19H21NO3 — CID 30271420

IUPAC1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCc3ccccc32)c1OC
InChIInChI=1S/C19H21NO3/c1-22-17-9-5-7-15(19(17)23-2)10-11-18(21)20-13-12-14-6-3-4-8-16(14)20/h3-9H,10-13H2,1-2H3
InChIKeyKDDAWGUUYVCLFU-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.23
Rot. Bonds5

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

1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one (PubChem CID 30271420) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one
PubChem CID30271420
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCc3ccccc32)c1OC
InChIInChI=1S/C19H21NO3/c1-22-17-9-5-7-15(19(17)23-2)10-11-18(21)20-13-12-14-6-3-4-8-16(14)20/h3-9H,10-13H2,1-2H3
InChIKeyKDDAWGUUYVCLFU-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one (CID 30271420) is 1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one is COc1cccc(CCC(=O)N2CCc3ccccc32)c1OC.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one?
The InChIKey is KDDAWGUUYVCLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-17-9-5-7-15(19(17)23-2)10-11-18(21)20-13-12-14-6-3-4-8-16(14)20/h3-9H,10-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one has a molecular weight of 311.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 30271420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).