4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

C16H21NO3 — CID 5092

IUPAC4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1OC1CCCC1
InChIInChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyHJORMJIFDVBMOB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.62
Rot. Bonds4

About 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 5092) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID5092
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1OC1CCCC1
InChIInChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyHJORMJIFDVBMOB-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-dimethoxyphenyl)methylidene]piperidin-2-one
CID 67536516
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)piperidin-2-one
CID 67536494
(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-fluoro-4-methoxyphenyl)methylidene]piperidin-2-one
CID 67535668
4-(bromomethyl)-1-cyclopentyloxy-2-methoxybenzene;4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidin-2-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 162092227
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethylidene)piperidin-2-one
CID 67536226
4-[4-methoxy-3-(1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentyl)oxyphenyl]pyrrolidin-2-one
CID 46842433
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2,3-difluorophenyl)methylidene]piperidin-2-one
CID 67537340
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one (CID 5092) is 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.
What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is HJORMJIFDVBMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18).
What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one?
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 5092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).