3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one

C15H17NO2 — CID 95456132

IUPAC3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)c2ccn(C)c2)c1
InChIInChI=1S/C15H17NO2/c1-16-9-8-13(11-16)15(17)7-6-12-4-3-5-14(10-12)18-2/h3-5,8-11H,6-7H2,1-2H3
InChIKeyPHAIAHMKVIBJQB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.85
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one

3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one (PubChem CID 95456132) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one
PubChem CID95456132
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)c2ccn(C)c2)c1
InChIInChI=1S/C15H17NO2/c1-16-9-8-13(11-16)15(17)7-6-12-4-3-5-14(10-12)18-2/h3-5,8-11H,6-7H2,1-2H3
InChIKeyPHAIAHMKVIBJQB-UHFFFAOYSA-N
XLogP2.85
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-one
CID 79105455
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
2,6-dichloro-4-[3-(3-methoxyphenyl)propanoyl]benzoic acid
CID 167567818
6-(3-methoxyphenyl)-1-(4-methoxyphenyl)hexan-1-one
CID 164679633
ethane;1-(3-methoxyphenyl)-4-methylpentan-3-one
CID 142910057
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
4-(3-methoxyphenyl)-1-(methylamino)butan-2-one
CID 112517732
S-ethyl 3-(3-methoxyphenyl)propanethioate
CID 54757271
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-[(3-methoxyphenyl)methyl]pyrrole-3-carboxylic acid
CID 79103341
1-[2-(3-methoxyphenyl)ethyl]pyrrole
CID 10679575
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one (CID 95456132) is 3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one is COc1cccc(CCC(=O)c2ccn(C)c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one?
The InChIKey is PHAIAHMKVIBJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-9-8-13(11-16)15(17)7-6-12-4-3-5-14(10-12)18-2/h3-5,8-11H,6-7H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one?
3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one is sourced from PubChem (CID 95456132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).