(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one

C11H17N3O — CID 15021363

IUPAC(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
SMILESCC[C@H]1C(=O)NC[C@@H]1Cc1cncn1C
InChIInChI=1S/C11H17N3O/c1-3-10-8(5-13-11(10)15)4-9-6-12-7-14(9)2/h6-8,10H,3-5H2,1-2H3,(H,13,15)/t8-,10+/m0/s1
InChIKeyLWYKXKGPFMXVIY-WCBMZHEXSA-N
MW207.28 g/mol
LogP0.73
Rot. Bonds3

About (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one

(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 15021363) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID15021363
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
SMILESCC[C@H]1C(=O)NC[C@@H]1Cc1cncn1C
InChIInChI=1S/C11H17N3O/c1-3-10-8(5-13-11(10)15)4-9-6-12-7-14(9)2/h6-8,10H,3-5H2,1-2H3,(H,13,15)/t8-,10+/m0/s1
InChIKeyLWYKXKGPFMXVIY-WCBMZHEXSA-N
XLogP0.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one (CID 15021363) is (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one is CC[C@H]1C(=O)NC[C@@H]1Cc1cncn1C.
What is the InChIKey of (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is LWYKXKGPFMXVIY-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-10-8(5-13-11(10)15)4-9-6-12-7-14(9)2/h6-8,10H,3-5H2,1-2H3,(H,13,15)/t8-,10+/m0/s1.
What are the key properties of (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 15021363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).