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

C18H21NO4 — CID 129481343

IUPAC(2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1occc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(OC)c1
InChIInChI=1S/C18H21NO4/c1-3-17-15(7-8-23-17)18(21)19-11-13(20)10-16(19)12-5-4-6-14(9-12)22-2/h4-9,13,16,20H,3,10-11H2,1-2H3/t13-,16+/m1/s1
InChIKeyIEXNXQVXTGQSEM-CJNGLKHVSA-N
MW315.37 g/mol
LogP2.80
Rot. Bonds4

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

(2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 129481343) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID129481343
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1occc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(OC)c1
InChIInChI=1S/C18H21NO4/c1-3-17-15(7-8-23-17)18(21)19-11-13(20)10-16(19)12-5-4-6-14(9-12)22-2/h4-9,13,16,20H,3,10-11H2,1-2H3/t13-,16+/m1/s1
InChIKeyIEXNXQVXTGQSEM-CJNGLKHVSA-N
XLogP2.80
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129346073
[(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
(3-ethyl-6-methylpyridazin-4-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481435
furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481618
(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]-(5-methylfuran-2-yl)methanone
CID 129481695
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 100740302
[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 100740296
(3-fluoro-4-pyridinyl)-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481464
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 129350056
(3-chloro-4-pyridinyl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129350039

Frequently Asked Questions

What is the IUPAC name of (2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 129481343) is (2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is CCc1occc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(OC)c1.
What is the InChIKey of (2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is IEXNXQVXTGQSEM-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H21NO4/c1-3-17-15(7-8-23-17)18(21)19-11-13(20)10-16(19)12-5-4-6-14(9-12)22-2/h4-9,13,16,20H,3,10-11H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of (2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
(2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 315.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129481343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).