4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one

C20H23NO3 — CID 24578849

IUPAC4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one
SMILESCCCn1c(C)cc(C(=O)COc2cccc3c2CCC3=O)c1C
InChIInChI=1S/C20H23NO3/c1-4-10-21-13(2)11-17(14(21)3)19(23)12-24-20-7-5-6-15-16(20)8-9-18(15)22/h5-7,11H,4,8-10,12H2,1-3H3
InChIKeyFCWWMOKPMAHOMA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.91
Rot. Bonds6

About 4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one

4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one (PubChem CID 24578849) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one
PubChem CID24578849
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one
SMILESCCCn1c(C)cc(C(=O)COc2cccc3c2CCC3=O)c1C
InChIInChI=1S/C20H23NO3/c1-4-10-21-13(2)11-17(14(21)3)19(23)12-24-20-7-5-6-15-16(20)8-9-18(15)22/h5-7,11H,4,8-10,12H2,1-3H3
InChIKeyFCWWMOKPMAHOMA-UHFFFAOYSA-N
XLogP3.91
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891953
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909308
2-(4-acetylphenoxy)-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone
CID 112781190
butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate
CID 60730584
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-naphthalen-1-yloxyethanone
CID 7850936
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528708
1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 78880776
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 8012815
methyl 3-[3-[2-(2-cyanophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 7560515
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 5203768
2-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethoxy]benzamide
CID 4791820

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one (CID 24578849) is 4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one is CCCn1c(C)cc(C(=O)COc2cccc3c2CCC3=O)c1C.
What is the InChIKey of 4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one?
The InChIKey is FCWWMOKPMAHOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-10-21-13(2)11-17(14(21)3)19(23)12-24-20-7-5-6-15-16(20)8-9-18(15)22/h5-7,11H,4,8-10,12H2,1-3H3.
What are the key properties of 4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one?
4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one has a molecular weight of 325.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 24578849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).