cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone

C17H19NO2 — CID 79097089

IUPACcyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone
SMILESO=C(c1ccn(CCCOc2ccccc2)c1)C1CC1
InChIInChI=1S/C17H19NO2/c19-17(14-7-8-14)15-9-11-18(13-15)10-4-12-20-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14H,4,7-8,10,12H2
InChIKeyFWLNOMJEBZIDAT-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.55
Rot. Bonds7

About cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone

cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone (PubChem CID 79097089) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone
PubChem CID79097089
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namecyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone
SMILESO=C(c1ccn(CCCOc2ccccc2)c1)C1CC1
InChIInChI=1S/C17H19NO2/c19-17(14-7-8-14)15-9-11-18(13-15)10-4-12-20-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14H,4,7-8,10,12H2
InChIKeyFWLNOMJEBZIDAT-UHFFFAOYSA-N
XLogP3.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone
CID 79108495
cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone
CID 103411195
cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone
CID 79229049
cyclopropyl-(1-pent-4-enylpyrrol-3-yl)methanone
CID 79097491
cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone
CID 79097328
cyclopropyl-[4-(3-phenoxypropylsulfanyl)phenyl]methanone
CID 94780031
5-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 79097005
cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone
CID 79097570
1-cyclopropyl-6-phenoxyhexan-1-one
CID 64505245
[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone
CID 79097088
phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
CID 66783871
2-(3-phenoxypropyl)isoindole
CID 23727767

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone (CID 79097089) is cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone is O=C(c1ccn(CCCOc2ccccc2)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone?
The InChIKey is FWLNOMJEBZIDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(14-7-8-14)15-9-11-18(13-15)10-4-12-20-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14H,4,7-8,10,12H2.
What are the key properties of cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone?
cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone has a molecular weight of 269.34 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone is sourced from PubChem (CID 79097089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).