1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one

C16H23NO2 — CID 116605893

IUPAC1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one
SMILESCOc1ccc(CCC(=O)CCC2CCNC2)cc1
InChIInChI=1S/C16H23NO2/c1-19-16-8-4-13(5-9-16)2-6-15(18)7-3-14-10-11-17-12-14/h4-5,8-9,14,17H,2-3,6-7,10-12H2,1H3
InChIKeyRJQCWZOFSFXURD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.59
Rot. Bonds7

About 1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one

1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one (PubChem CID 116605893) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one
PubChem CID116605893
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one
SMILESCOc1ccc(CCC(=O)CCC2CCNC2)cc1
InChIInChI=1S/C16H23NO2/c1-19-16-8-4-13(5-9-16)2-6-15(18)7-3-14-10-11-17-12-14/h4-5,8-9,14,17H,2-3,6-7,10-12H2,1H3
InChIKeyRJQCWZOFSFXURD-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 60902718
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606055
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
1-(3,4-dimethylphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606064
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955725
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one?
The IUPAC name of 1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one (CID 116605893) is 1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one?
The canonical SMILES for 1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one is COc1ccc(CCC(=O)CCC2CCNC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one?
The InChIKey is RJQCWZOFSFXURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-16-8-4-13(5-9-16)2-6-15(18)7-3-14-10-11-17-12-14/h4-5,8-9,14,17H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one?
1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one has a molecular weight of 261.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one is sourced from PubChem (CID 116605893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).