(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one

C17H23NO3 — CID 53237242

IUPAC(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N(C)C2)cc1OC1CCCC1
InChIInChI=1S/C17H23NO3/c1-18-11-13(10-17(18)19)12-7-8-15(20-2)16(9-12)21-14-5-3-4-6-14/h7-9,13-14H,3-6,10-11H2,1-2H3/t13-/m1/s1
InChIKeyCFODIQZSRVSRRB-CYBMUJFWSA-N
MW289.38 g/mol
LogP2.96
Rot. Bonds4

About (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one

(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one (PubChem CID 53237242) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
PubChem CID53237242
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
SMILESCOc1ccc([C@@H]2CC(=O)N(C)C2)cc1OC1CCCC1
InChIInChI=1S/C17H23NO3/c1-18-11-13(10-17(18)19)12-7-8-15(20-2)16(9-12)21-14-5-3-4-6-14/h7-9,13-14H,3-6,10-11H2,1-2H3/t13-/m1/s1
InChIKeyCFODIQZSRVSRRB-CYBMUJFWSA-N
XLogP2.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.96
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
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 10021760
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 10364767
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 10271091
N-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 144706065
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one
CID 15958398

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one (CID 53237242) is (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one is COc1ccc([C@@H]2CC(=O)N(C)C2)cc1OC1CCCC1.
What is the InChIKey of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one?
The InChIKey is CFODIQZSRVSRRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18-11-13(10-17(18)19)12-7-8-15(20-2)16(9-12)21-14-5-3-4-6-14/h7-9,13-14H,3-6,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one?
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one has a molecular weight of 289.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 53237242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).