1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone

C18H25NO3 — CID 10266977

IUPAC1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C2CCN(C(C)=O)C2)cc1OC1CCCC1
InChIInChI=1S/C18H25NO3/c1-13(20)19-10-9-15(12-19)14-7-8-17(21-2)18(11-14)22-16-5-3-4-6-16/h7-8,11,15-16H,3-6,9-10,12H2,1-2H3
InChIKeyWRQNZULTUIAUAK-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.35
Rot. Bonds4

About 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone

1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 10266977) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID10266977
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C2CCN(C(C)=O)C2)cc1OC1CCCC1
InChIInChI=1S/C18H25NO3/c1-13(20)19-10-9-15(12-19)14-7-8-17(21-2)18(11-14)22-16-5-3-4-6-16/h7-8,11,15-16H,3-6,9-10,12H2,1-2H3
InChIKeyWRQNZULTUIAUAK-UHFFFAOYSA-N
XLogP3.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 11726110
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde
CID 11778917
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-4-hydroxycyclobut-3-ene-1,2-dione
CID 19379059
2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride
CID 139815958
methyl (3R,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 54485183
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 58598219

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone (CID 10266977) is 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone is COc1ccc(C2CCN(C(C)=O)C2)cc1OC1CCCC1.
What is the InChIKey of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WRQNZULTUIAUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(20)19-10-9-15(12-19)14-7-8-17(21-2)18(11-14)22-16-5-3-4-6-16/h7-8,11,15-16H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 303.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 10266977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).