4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one

C16H21NO3 — CID 67672843

IUPAC4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(OC3CCCC3)CC2=O)cc1
InChIInChI=1S/C16H21NO3/c1-19-13-8-6-12(7-9-13)17-11-15(10-16(17)18)20-14-4-2-3-5-14/h6-9,14-15H,2-5,10-11H2,1H3
InChIKeyBMJZZVQAYYVQFZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.76
Rot. Bonds4

About 4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one

4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 67672843) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID67672843
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(OC3CCCC3)CC2=O)cc1
InChIInChI=1S/C16H21NO3/c1-19-13-8-6-12(7-9-13)17-11-15(10-16(17)18)20-14-4-2-3-5-14/h6-9,14-15H,2-5,10-11H2,1H3
InChIKeyBMJZZVQAYYVQFZ-UHFFFAOYSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16918345
1-(4-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670171
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
1,5-bis(4-methoxyphenyl)piperidin-2-one
CID 153340032
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 16919591
(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one
CID 11034304
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one (CID 67672843) is 4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(N2CC(OC3CCCC3)CC2=O)cc1.
What is the InChIKey of 4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is BMJZZVQAYYVQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-13-8-6-12(7-9-13)17-11-15(10-16(17)18)20-14-4-2-3-5-14/h6-9,14-15H,2-5,10-11H2,1H3.
What are the key properties of 4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one?
4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-1-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 67672843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).