1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one

C13H17NO2 — CID 66242832

IUPAC1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
SMILESCOc1ccc(C(C)N2CCC(=O)C2)cc1
InChIInChI=1S/C13H17NO2/c1-10(14-8-7-12(15)9-14)11-3-5-13(16-2)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyWPQLNKHFQVMMIT-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.03
Rot. Bonds3

About 1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one

1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one (PubChem CID 66242832) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
PubChem CID66242832
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
SMILESCOc1ccc(C(C)N2CCC(=O)C2)cc1
InChIInChI=1S/C13H17NO2/c1-10(14-8-7-12(15)9-14)11-3-5-13(16-2)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyWPQLNKHFQVMMIT-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79777955
1-[1-(4-iodophenyl)ethyl]piperidin-4-one
CID 131422782
1-[1-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
CID 82024193
1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one
CID 167714155
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
CID 66202895
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one
CID 43535702
4-[4-[1-(4-methoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2771200
(4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819399
1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine
CID 66203957
4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-methylbenzaldehyde
CID 2771265

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one (CID 66242832) is 1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one is COc1ccc(C(C)N2CCC(=O)C2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one?
The InChIKey is WPQLNKHFQVMMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(14-8-7-12(15)9-14)11-3-5-13(16-2)6-4-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one?
1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one has a molecular weight of 219.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one is sourced from PubChem (CID 66242832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).