[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

C18H21NO5 — CID 128965921

IUPAC[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CC(O)CC2c2cccc(OC)c2)o1
InChIInChI=1S/C18H21NO5/c1-22-11-15-6-7-17(24-15)18(21)19-10-13(20)9-16(19)12-4-3-5-14(8-12)23-2/h3-8,13,16,20H,9-11H2,1-2H3
InChIKeyJBURPJBYAGEATA-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.38
Rot. Bonds5

About [4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 128965921) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is [4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID128965921
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CC(O)CC2c2cccc(OC)c2)o1
InChIInChI=1S/C18H21NO5/c1-22-11-15-6-7-17(24-15)18(21)19-10-13(20)9-16(19)12-4-3-5-14(8-12)23-2/h3-8,13,16,20H,9-11H2,1-2H3
InChIKeyJBURPJBYAGEATA-UHFFFAOYSA-N
XLogP2.38
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 100719919
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 129481695
(5-ethyl-4-methylfuran-2-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129346073
furan-3-yl-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481618
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129481486
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129481472
(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]-(3-methylfuran-2-yl)methanone
CID 128965922
(2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481343
(3-fluorophenyl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 125141501
(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

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of [4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 128965921) is [4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2CC(O)CC2c2cccc(OC)c2)o1.
What is the InChIKey of [4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is JBURPJBYAGEATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-22-11-15-6-7-17(24-15)18(21)19-10-13(20)9-16(19)12-4-3-5-14(8-12)23-2/h3-8,13,16,20H,9-11H2,1-2H3.
What are the key properties of [4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 331.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 128965921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).