3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one

C17H22N2O2 — CID 71840841

IUPAC3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one
SMILESCCn1ccc2cc(CCC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C17H22N2O2/c1-2-18-8-7-15-13-14(3-5-16(15)18)4-6-17(20)19-9-11-21-12-10-19/h3,5,7-8,13H,2,4,6,9-12H2,1H3
InChIKeyVWSCHHSPSUAUIU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.45
Rot. Bonds4

About 3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one

3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 71840841) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID71840841
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one
SMILESCCn1ccc2cc(CCC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C17H22N2O2/c1-2-18-8-7-15-13-14(3-5-16(15)18)4-6-17(20)19-9-11-21-12-10-19/h3,5,7-8,13H,2,4,6,9-12H2,1H3
InChIKeyVWSCHHSPSUAUIU-UHFFFAOYSA-N
XLogP2.45
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71819831
2-methyl-6-(3-morpholin-4-yl-3-oxopropyl)naphthalene-1-carbaldehyde
CID 88947049
3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 50847816
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
CID 71840842
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-(2-morpholin-4-yl-2-oxoethyl)indole-5-carbothioamide
CID 107920546
(1-ethylindol-5-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95896712
1-(1-ethylindol-5-yl)butan-1-one
CID 71284644
N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide
CID 71830169
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 19009076
4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one
CID 67900368

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one (CID 71840841) is 3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one is CCn1ccc2cc(CCC(=O)N3CCOCC3)ccc21.
What is the InChIKey of 3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is VWSCHHSPSUAUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-18-8-7-15-13-14(3-5-16(15)18)4-6-17(20)19-9-11-21-12-10-19/h3,5,7-8,13H,2,4,6,9-12H2,1H3.
What are the key properties of 3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one?
3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 286.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 71840841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).