3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one

C20H26N2O2 — CID 166252548

IUPAC3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCC(C2CCCO2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H26N2O2/c1-14(17-12-21-18-6-3-2-5-16(17)18)11-20(23)22-9-8-15(13-22)19-7-4-10-24-19/h2-3,5-6,12,14-15,19,21H,4,7-11,13H2,1H3
InChIKeyIFJISBDIGOMXEL-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.69
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one

3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 166252548) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID166252548
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCC(C2CCCO2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H26N2O2/c1-14(17-12-21-18-6-3-2-5-16(17)18)11-20(23)22-9-8-15(13-22)19-7-4-10-24-19/h2-3,5-6,12,14-15,19,21H,4,7-11,13H2,1H3
InChIKeyIFJISBDIGOMXEL-UHFFFAOYSA-N
XLogP3.69
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one
CID 67186064
(3R)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 16726471
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824
2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.03,7]nonane-5-carbonitrile
CID 145258277
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
methyl (2R,3S)-3-(1H-indol-3-yl)-2-[(4-phenylpiperidine-1-carbonyl)amino]butanoate
CID 58723973
(3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide
CID 51497863
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110611350
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248673
N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide
CID 166255027

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one (CID 166252548) is 3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one is CC(CC(=O)N1CCC(C2CCCO2)C1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is IFJISBDIGOMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(17-12-21-18-6-3-2-5-16(17)18)11-20(23)22-9-8-15(13-22)19-7-4-10-24-19/h2-3,5-6,12,14-15,19,21H,4,7-11,13H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one?
3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[3-(oxolan-2-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 166252548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).