(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone

C19H23NO3 — CID 111472230

IUPAC(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC2CC(O)c2ccccc2)o1
InChIInChI=1S/C19H23NO3/c1-2-16-10-11-18(23-16)19(22)20-12-6-9-15(20)13-17(21)14-7-4-3-5-8-14/h3-5,7-8,10-11,15,17,21H,2,6,9,12-13H2,1H3
InChIKeyWMPONPJCJYVHQX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.57
Rot. Bonds5

About (5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone

(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 111472230) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID111472230
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC2CC(O)c2ccccc2)o1
InChIInChI=1S/C19H23NO3/c1-2-16-10-11-18(23-16)19(22)20-12-6-9-15(20)13-17(21)14-7-4-3-5-8-14/h3-5,7-8,10-11,15,17,21H,2,6,9,12-13H2,1H3
InChIKeyWMPONPJCJYVHQX-UHFFFAOYSA-N
XLogP3.57
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028614
3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 129367512
[4-(aminomethyl)phenyl]-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 125134428
(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38482077
(2-ethyl-1H-imidazol-5-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111781389
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
3-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]benzoic acid
CID 129415441
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111472411
(3,5-difluorophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472321
ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11087069

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone (CID 111472230) is (5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone is CCc1ccc(C(=O)N2CCCC2CC(O)c2ccccc2)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is WMPONPJCJYVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-16-10-11-18(23-16)19(22)20-12-6-9-15(20)13-17(21)14-7-4-3-5-8-14/h3-5,7-8,10-11,15,17,21H,2,6,9,12-13H2,1H3.
What are the key properties of (5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone?
(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 111472230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).