3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one

C17H22N2O — CID 71819831

IUPAC3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCn1ccc2cc(CCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C17H22N2O/c1-2-18-12-9-15-13-14(5-7-16(15)18)6-8-17(20)19-10-3-4-11-19/h5,7,9,12-13H,2-4,6,8,10-11H2,1H3
InChIKeyHEVAPCDZTMCYTA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.22
Rot. Bonds4

About 3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 71819831) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID71819831
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCn1ccc2cc(CCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C17H22N2O/c1-2-18-12-9-15-13-14(5-7-16(15)18)6-8-17(20)19-10-3-4-11-19/h5,7,9,12-13H,2-4,6,8,10-11H2,1H3
InChIKeyHEVAPCDZTMCYTA-UHFFFAOYSA-N
XLogP3.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one
CID 71840841
3-(1-ethylindol-6-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 50847816
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 145472611
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
CID 71840842
2-(1-ethylindol-5-yl)acetaldehyde
CID 115106765
1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170863995
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
3-[3-amino-4-(diethylamino)phenyl]-1-(azepan-1-yl)propan-1-one
CID 39113473
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 115104716

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 71819831) is 3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one is CCn1ccc2cc(CCC(=O)N3CCCC3)ccc21.
What is the InChIKey of 3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HEVAPCDZTMCYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-18-12-9-15-13-14(5-7-16(15)18)6-8-17(20)19-10-3-4-11-19/h5,7,9,12-13H,2-4,6,8,10-11H2,1H3.
What are the key properties of 3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 270.38 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 3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 71819831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).