furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone

C18H21NO4 — CID 128974674

IUPACfuran-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(C)(O)C2CCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C18H21NO4/c1-18(21,13-7-9-14(22-2)10-8-13)16-6-3-11-19(16)17(20)15-5-4-12-23-15/h4-5,7-10,12,16,21H,3,6,11H2,1-2H3
InChIKeyJCVXUDGYWOYTCZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.80
Rot. Bonds4

About furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone

furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone (PubChem CID 128974674) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
PubChem CID128974674
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namefuran-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(C)(O)C2CCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C18H21NO4/c1-18(21,13-7-9-14(22-2)10-8-13)16-6-3-11-19(16)17(20)15-5-4-12-23-15/h4-5,7-10,12,16,21H,3,6,11H2,1-2H3
InChIKeyJCVXUDGYWOYTCZ-UHFFFAOYSA-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

(2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 129007482
[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128974683
4-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
CID 128999183
[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 167887230
(2,6-dimethylpyrimidin-4-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128994946
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
(4-chloro-1H-pyrrol-2-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128974712
4-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 154795378
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
1-(furan-2-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 75195661
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51930904

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone (CID 128974674) is furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone is COc1ccc(C(C)(O)C2CCCN2C(=O)c2ccco2)cc1.
What is the InChIKey of furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone?
The InChIKey is JCVXUDGYWOYTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-18(21,13-7-9-14(22-2)10-8-13)16-6-3-11-19(16)17(20)15-5-4-12-23-15/h4-5,7-10,12,16,21H,3,6,11H2,1-2H3.
What are the key properties of furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone?
furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]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 furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128974674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).