(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone

C16H20N2O — CID 83152477

IUPAC(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H20N2O/c1-3-12-8-7-11(2)18(12)16(19)14-5-4-6-15-13(14)9-10-17-15/h4-6,9-12,17H,3,7-8H2,1-2H3
InChIKeyYIAAKZKPLKKCSN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.57
Rot. Bonds2

About (2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone

(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone (PubChem CID 83152477) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone
PubChem CID83152477
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H20N2O/c1-3-12-8-7-11(2)18(12)16(19)14-5-4-6-15-13(14)9-10-17-15/h4-6,9-12,17H,3,7-8H2,1-2H3
InChIKeyYIAAKZKPLKKCSN-UHFFFAOYSA-N
XLogP3.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83217631
(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone
CID 64978238
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305
(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83226850
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 83137954
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-4-yl)methanone
CID 116635844
(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone
CID 112838579
1H-indol-4-yl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79490163
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone?
The IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone (CID 83152477) is (2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone?
The canonical SMILES for (2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone is CCC1CCC(C)N1C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of (2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone?
The InChIKey is YIAAKZKPLKKCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-12-8-7-11(2)18(12)16(19)14-5-4-6-15-13(14)9-10-17-15/h4-6,9-12,17H,3,7-8H2,1-2H3.
What are the key properties of (2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone?
(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone is sourced from PubChem (CID 83152477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).