[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

C17H23NO3 — CID 52556394

IUPAC[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)C2CCOCC2)c1
InChIInChI=1S/C17H23NO3/c1-20-15-5-2-4-14(12-15)16-6-3-9-18(16)17(19)13-7-10-21-11-8-13/h2,4-5,12-13,16H,3,6-11H2,1H3/t16-/m1/s1
InChIKeyCUSKNEOGZZSMCU-MRXNPFEDSA-N
MW289.38 g/mol
LogP2.79
Rot. Bonds3

About [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 52556394) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID52556394
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)C2CCOCC2)c1
InChIInChI=1S/C17H23NO3/c1-20-15-5-2-4-14(12-15)16-6-3-9-18(16)17(19)13-7-10-21-11-8-13/h2,4-5,12-13,16H,3,6-11H2,1H3/t16-/m1/s1
InChIKeyCUSKNEOGZZSMCU-MRXNPFEDSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483
cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 146123500
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 51325156
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
(4R)-1-cyclopropyl-4-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95567810
cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97206838
[2-(3-methoxyphenyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131949336
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 52556394) is [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is COc1cccc([C@H]2CCCN2C(=O)C2CCOCC2)c1.
What is the InChIKey of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is CUSKNEOGZZSMCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-5-2-4-14(12-15)16-6-3-9-18(16)17(19)13-7-10-21-11-8-13/h2,4-5,12-13,16H,3,6-11H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 52556394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).