4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C16H23NO3 — CID 123475689

IUPAC4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCCC(O)C1CC(=O)N(C(C)c2ccc(OC)cc2)C1
InChIInChI=1S/C16H23NO3/c1-4-15(18)13-9-16(19)17(10-13)11(2)12-5-7-14(20-3)8-6-12/h5-8,11,13,15,18H,4,9-10H2,1-3H3
InChIKeyHUXMLWAFNXMEBY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.38
Rot. Bonds5

About 4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 123475689) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID123475689
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCCC(O)C1CC(=O)N(C(C)c2ccc(OC)cc2)C1
InChIInChI=1S/C16H23NO3/c1-4-15(18)13-9-16(19)17(10-13)11(2)12-5-7-14(20-3)8-6-12/h5-8,11,13,15,18H,4,9-10H2,1-3H3
InChIKeyHUXMLWAFNXMEBY-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 134325581
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
(4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 58072031
1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
CID 123749070
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713263
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591
tert-butyl 1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 130348391
(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)-2-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 174990410
methyl 5-oxo-1-[1-(4-propoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 168692656
4-[1-(6-bromopyrazolo[1,5-a]pyrazin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 123463347
(4R)-4-[(1R)-1-[6-chloro-3-(propoxymethyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 135157732
4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one
CID 143803089

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 123475689) is 4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is CCC(O)C1CC(=O)N(C(C)c2ccc(OC)cc2)C1.
What is the InChIKey of 4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is HUXMLWAFNXMEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-15(18)13-9-16(19)17(10-13)11(2)12-5-7-14(20-3)8-6-12/h5-8,11,13,15,18H,4,9-10H2,1-3H3.
What are the key properties of 4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 277.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 123475689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).