4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one

C17H22N2O2 — CID 103536932

IUPAC4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
SMILESCOC1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H22N2O2/c1-21-14-9-10-19(12-14)17(20)8-4-5-13-11-18-16-7-3-2-6-15(13)16/h2-3,6-7,11,14,18H,4-5,8-10,12H2,1H3
InChIKeyWYBVFYWXMCSYHB-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.74
Rot. Bonds5

About 4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one

4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one (PubChem CID 103536932) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
PubChem CID103536932
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
SMILESCOC1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H22N2O2/c1-21-14-9-10-19(12-14)17(20)8-4-5-13-11-18-16-7-3-2-6-15(13)16/h2-3,6-7,11,14,18H,4-5,8-10,12H2,1H3
InChIKeyWYBVFYWXMCSYHB-UHFFFAOYSA-N
XLogP2.74
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 110086524
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 163318056
1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
methyl 2-[4-(1H-indol-3-yl)butanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 75453695

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one (CID 103536932) is 4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one is COC1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one?
The InChIKey is WYBVFYWXMCSYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-14-9-10-19(12-14)17(20)8-4-5-13-11-18-16-7-3-2-6-15(13)16/h2-3,6-7,11,14,18H,4-5,8-10,12H2,1H3.
What are the key properties of 4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one?
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one has a molecular weight of 286.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 103536932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).