1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone

C19H19NO2 — CID 84616702

IUPAC1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(CCOc2cccc3ccccc23)c1C
InChIInChI=1S/C19H19NO2/c1-14-17(15(2)21)10-11-20(14)12-13-22-19-9-5-7-16-6-3-4-8-18(16)19/h3-11H,12-13H2,1-2H3
InChIKeyGRRRZYIQKXUXCS-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.23
Rot. Bonds5

About 1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone

1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone (PubChem CID 84616702) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone
PubChem CID84616702
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(CCOc2cccc3ccccc23)c1C
InChIInChI=1S/C19H19NO2/c1-14-17(15(2)21)10-11-20(14)12-13-22-19-9-5-7-16-6-3-4-8-18(16)19/h3-11H,12-13H2,1-2H3
InChIKeyGRRRZYIQKXUXCS-UHFFFAOYSA-N
XLogP4.23
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-indol-1-ylethoxy)phenyl]ethanone
CID 62025183
2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
CID 3965058
2-naphthalen-1-yloxyethyl acetate
CID 23049663
1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione
CID 62023562
1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole
CID 84571556
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidine;oxalic acid
CID 2924114
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-naphthalen-1-yloxyethanone
CID 7850936
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
1-[4-(naphthalen-1-yloxymethyl)phenyl]ethanone
CID 134094222
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-butoxynaphthalene
CID 13262700

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone (CID 84616702) is 1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone is CC(=O)c1ccn(CCOc2cccc3ccccc23)c1C.
What is the InChIKey of 1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone?
The InChIKey is GRRRZYIQKXUXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14-17(15(2)21)10-11-20(14)12-13-22-19-9-5-7-16-6-3-4-8-18(16)19/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone?
1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone has a molecular weight of 293.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone is sourced from PubChem (CID 84616702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).