furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

C16H17NO4 — CID 129481618

IUPACfuran-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc([C@H]2C[C@H](O)CN2C(=O)c2ccoc2)c1
InChIInChI=1S/C16H17NO4/c1-20-14-4-2-3-11(7-14)15-8-13(18)9-17(15)16(19)12-5-6-21-10-12/h2-7,10,13,15,18H,8-9H2,1H3/t13-,15+/m0/s1
InChIKeyROBCDDZIPKGYOC-DZGCQCFKSA-N
MW287.31 g/mol
LogP2.24
Rot. Bonds3

About furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 129481618) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID129481618
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Namefuran-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc([C@H]2C[C@H](O)CN2C(=O)c2ccoc2)c1
InChIInChI=1S/C16H17NO4/c1-20-14-4-2-3-11(7-14)15-8-13(18)9-17(15)16(19)12-5-6-21-10-12/h2-7,10,13,15,18H,8-9H2,1H3/t13-,15+/m0/s1
InChIKeyROBCDDZIPKGYOC-DZGCQCFKSA-N
XLogP2.24
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 125141501
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129481486
[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 128965922
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 129481695
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129481472
(2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481343
(1-tert-butylpyrazol-4-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481518
(5-ethyl-3-pyridinyl)-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481766
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129346475
[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 129350051
(1,3-dimethylpyrrol-2-yl)-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129346275
[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 128965921

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 129481618) is furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2ccoc2)c1.
What is the InChIKey of furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is ROBCDDZIPKGYOC-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-14-4-2-3-11(7-14)15-8-13(18)9-17(15)16(19)12-5-6-21-10-12/h2-7,10,13,15,18H,8-9H2,1H3/t13-,15+/m0/s1.
What are the key properties of furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 287.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129481618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).