2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

C18H25NO2 — CID 93480750

IUPAC2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc([C@@H]2CCN(C(=O)CC3CCCC3)C2)cc1
InChIInChI=1S/C18H25NO2/c1-21-17-8-6-15(7-9-17)16-10-11-19(13-16)18(20)12-14-4-2-3-5-14/h6-9,14,16H,2-5,10-13H2,1H3/t16-/m1/s1
InChIKeyDEOOJIVCZIVKDJ-MRXNPFEDSA-N
MW287.40 g/mol
LogP3.59
Rot. Bonds4

About 2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 93480750) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID93480750
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc([C@@H]2CCN(C(=O)CC3CCCC3)C2)cc1
InChIInChI=1S/C18H25NO2/c1-21-17-8-6-15(7-9-17)16-10-11-19(13-16)18(20)12-14-4-2-3-5-14/h6-9,14,16H,2-5,10-13H2,1H3/t16-/m1/s1
InChIKeyDEOOJIVCZIVKDJ-MRXNPFEDSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95351155
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86876553
3-chloro-1-[3-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 121146937
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
(3S)-3-[2-[3-(4-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidine-1-carbonitrile
CID 134400147
N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide
CID 121147120
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942
N-[4-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 122243074
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
1-[3-(4-chlorophenyl)azepan-1-yl]-2-cyclohexylethanone
CID 121146455
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone (CID 93480750) is 2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone is COc1ccc([C@@H]2CCN(C(=O)CC3CCCC3)C2)cc1.
What is the InChIKey of 2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is DEOOJIVCZIVKDJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25NO2/c1-21-17-8-6-15(7-9-17)16-10-11-19(13-16)18(20)12-14-4-2-3-5-14/h6-9,14,16H,2-5,10-13H2,1H3/t16-/m1/s1.
What are the key properties of 2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 287.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 93480750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).