3-(7-ethylindol-1-yl)-1-phenylpropan-1-one

C19H19NO — CID 116691880

IUPAC3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
SMILESCCc1cccc2ccn(CCC(=O)c3ccccc3)c12
InChIInChI=1S/C19H19NO/c1-2-15-9-6-10-17-11-13-20(19(15)17)14-12-18(21)16-7-4-3-5-8-16/h3-11,13H,2,12,14H2,1H3
InChIKeyHXSVWXSVVBDKTO-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.48
Rot. Bonds5

About 3-(7-ethylindol-1-yl)-1-phenylpropan-1-one

3-(7-ethylindol-1-yl)-1-phenylpropan-1-one (PubChem CID 116691880) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(7-ethylindol-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
PubChem CID116691880
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
SMILESCCc1cccc2ccn(CCC(=O)c3ccccc3)c12
InChIInChI=1S/C19H19NO/c1-2-15-9-6-10-17-11-13-20(19(15)17)14-12-18(21)16-7-4-3-5-8-16/h3-11,13H,2,12,14H2,1H3
InChIKeyHXSVWXSVVBDKTO-UHFFFAOYSA-N
XLogP4.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-ethylindol-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(7-ethylindol-1-yl)-1-phenylpropan-1-one (CID 116691880) is 3-(7-ethylindol-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(7-ethylindol-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(7-ethylindol-1-yl)-1-phenylpropan-1-one is CCc1cccc2ccn(CCC(=O)c3ccccc3)c12.
What is the InChIKey of 3-(7-ethylindol-1-yl)-1-phenylpropan-1-one?
The InChIKey is HXSVWXSVVBDKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-15-9-6-10-17-11-13-20(19(15)17)14-12-18(21)16-7-4-3-5-8-16/h3-11,13H,2,12,14H2,1H3.
What are the key properties of 3-(7-ethylindol-1-yl)-1-phenylpropan-1-one?
3-(7-ethylindol-1-yl)-1-phenylpropan-1-one has a molecular weight of 277.37 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethylindol-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 116691880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).