2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one

C16H23NO2 — CID 110316903

IUPAC2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCOc1ccc(C(C(=O)N2CCCC2)C(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)15(16(18)17-10-4-5-11-17)13-6-8-14(19-3)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyYIAPDDGWKVQIFJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one

2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 110316903) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID110316903
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCOc1ccc(C(C(=O)N2CCCC2)C(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)15(16(18)17-10-4-5-11-17)13-6-8-14(19-3)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyYIAPDDGWKVQIFJ-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone
CID 55048012
2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313553
2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 132760012
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919
2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 110312807
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-(4-methoxyphenyl)-3-methylbutan-1-one
CID 110313604
1-[4-[(2S)-2-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 95616188
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one (CID 110316903) is 2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one is COc1ccc(C(C(=O)N2CCCC2)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is YIAPDDGWKVQIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)15(16(18)17-10-4-5-11-17)13-6-8-14(19-3)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 110316903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).