(5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

C15H23NO3 — CID 84594570

IUPAC(5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C)c(C(=O)N2CCCC2C(C)(C)O)o1
InChIInChI=1S/C15H23NO3/c1-5-11-9-10(2)13(19-11)14(17)16-8-6-7-12(16)15(3,4)18/h9,12,18H,5-8H2,1-4H3
InChIKeyYKKGGKFJUIIVRI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.53
Rot. Bonds3

About (5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

(5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 84594570) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID84594570
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C)c(C(=O)N2CCCC2C(C)(C)O)o1
InChIInChI=1S/C15H23NO3/c1-5-11-9-10(2)13(19-11)14(17)16-8-6-7-12(16)15(3,4)18/h9,12,18H,5-8H2,1-4H3
InChIKeyYKKGGKFJUIIVRI-UHFFFAOYSA-N
XLogP2.53
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (CID 84594570) is (5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is CCc1cc(C)c(C(=O)N2CCCC2C(C)(C)O)o1.
What is the InChIKey of (5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YKKGGKFJUIIVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-11-9-10(2)13(19-11)14(17)16-8-6-7-12(16)15(3,4)18/h9,12,18H,5-8H2,1-4H3.
What are the key properties of (5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
(5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 265.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-methylfuran-2-yl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 84594570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).