[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone

C17H23NO4 — CID 95587858

IUPAC[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCOC2)cc1OC
InChIInChI=1S/C17H23NO4/c1-20-15-6-5-12(10-16(15)21-2)14-4-3-8-18(14)17(19)13-7-9-22-11-13/h5-6,10,13-14H,3-4,7-9,11H2,1-2H3/t13-,14-/m1/s1
InChIKeyLYOQHKXQPVSHFH-ZIAGYGMSSA-N
MW305.37 g/mol
LogP2.40
Rot. Bonds4

About [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone

[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 95587858) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID95587858
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCOC2)cc1OC
InChIInChI=1S/C17H23NO4/c1-20-15-6-5-12(10-16(15)21-2)14-4-3-8-18(14)17(19)13-7-9-22-11-13/h5-6,10,13-14H,3-4,7-9,11H2,1-2H3/t13-,14-/m1/s1
InChIKeyLYOQHKXQPVSHFH-ZIAGYGMSSA-N
XLogP2.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587857
2-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974677
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
tert-butyl 2-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 102390009
[1-(4-chlorobenzoyl)piperidin-3-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 134024017
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 134024016
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 56810913
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 29357961
(4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 33225652
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 94618354
3-amino-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 119700980

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 95587858) is [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone is COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCOC2)cc1OC.
What is the InChIKey of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is LYOQHKXQPVSHFH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23NO4/c1-20-15-6-5-12(10-16(15)21-2)14-4-3-8-18(14)17(19)13-7-9-22-11-13/h5-6,10,13-14H,3-4,7-9,11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 305.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 95587858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).