(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C12H17NO3 — CID 79028614

IUPAC(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC[C@H]2CO)o1
InChIInChI=1S/C12H17NO3/c1-2-10-5-6-11(16-10)12(15)13-7-3-4-9(13)8-14/h5-6,9,14H,2-4,7-8H2,1H3/t9-/m0/s1
InChIKeyHUILNQJWBCRWRI-VIFPVBQESA-N
MW223.27 g/mol
LogP1.44
Rot. Bonds3

About (5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 79028614) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID79028614
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC[C@H]2CO)o1
InChIInChI=1S/C12H17NO3/c1-2-10-5-6-11(16-10)12(15)13-7-3-4-9(13)8-14/h5-6,9,14H,2-4,7-8H2,1H3/t9-/m0/s1
InChIKeyHUILNQJWBCRWRI-VIFPVBQESA-N
XLogP1.44
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 129367512
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate
CID 93436463
(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472230
[5-(aminomethyl)furan-2-yl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 126775705
[5-(aminomethyl)furan-2-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686131
[(2R)-1-carbamoylpyrrolidin-2-yl]methyl 5-ethylfuran-2-carboxylate
CID 96502541
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 115277573
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 79028614) is (5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC[C@H]2CO)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HUILNQJWBCRWRI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-10-5-6-11(16-10)12(15)13-7-3-4-9(13)8-14/h5-6,9,14H,2-4,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 223.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 79028614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).