1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one

C14H19NO2 — CID 116583565

IUPAC1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one
SMILESCOc1ccccc1CC(=O)CC1CCNC1
InChIInChI=1S/C14H19NO2/c1-17-14-5-3-2-4-12(14)9-13(16)8-11-6-7-15-10-11/h2-5,11,15H,6-10H2,1H3
InChIKeyDJKNBMQRHXCLPV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.81
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one

1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one (PubChem CID 116583565) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one
PubChem CID116583565
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one
SMILESCOc1ccccc1CC(=O)CC1CCNC1
InChIInChI=1S/C14H19NO2/c1-17-14-5-3-2-4-12(14)9-13(16)8-11-6-7-15-10-11/h2-5,11,15H,6-10H2,1H3
InChIKeyDJKNBMQRHXCLPV-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride
CID 67928685
2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 64610785
4-[3-(2-methoxyphenyl)propyl]piperidine
CID 22751111
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
N-[(2-methoxyphenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62212494
(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 124685580
1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563786

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one (CID 116583565) is 1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one is COc1ccccc1CC(=O)CC1CCNC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one?
The InChIKey is DJKNBMQRHXCLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14-5-3-2-4-12(14)9-13(16)8-11-6-7-15-10-11/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one?
1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one is sourced from PubChem (CID 116583565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).