cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone

C17H19NO3 — CID 79108495

IUPACcyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone
SMILESCOc1ccc(OCCn2ccc(C(=O)C3CC3)c2)cc1
InChIInChI=1S/C17H19NO3/c1-20-15-4-6-16(7-5-15)21-11-10-18-9-8-14(12-18)17(19)13-2-3-13/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyIFCPFHMTKQVXHY-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.17
Rot. Bonds7

About cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone (PubChem CID 79108495) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone
PubChem CID79108495
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namecyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone
SMILESCOc1ccc(OCCn2ccc(C(=O)C3CC3)c2)cc1
InChIInChI=1S/C17H19NO3/c1-20-15-4-6-16(7-5-15)21-11-10-18-9-8-14(12-18)17(19)13-2-3-13/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyIFCPFHMTKQVXHY-UHFFFAOYSA-N
XLogP3.17
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone
CID 79097089
cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone
CID 103411195
cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone
CID 103034917
cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone
CID 79097328
2-[2-(4-methoxyphenoxy)ethyl]isoindole-5-carboxylic acid
CID 94778606
cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone
CID 79229049
[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine
CID 66408847
cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone
CID 79097491
3-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-2,2-dimethylpropanoic acid
CID 79621771
5-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 79097005
1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone
CID 79106081
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone (CID 79108495) is cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone is COc1ccc(OCCn2ccc(C(=O)C3CC3)c2)cc1.
What is the InChIKey of cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone?
The InChIKey is IFCPFHMTKQVXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-4-6-16(7-5-15)21-11-10-18-9-8-14(12-18)17(19)13-2-3-13/h4-9,12-13H,2-3,10-11H2,1H3.
What are the key properties of cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone has a molecular weight of 285.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79108495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).