3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one

C11H17N3O — CID 67669350

IUPAC3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
SMILESCCC1CCN(Cc2cncn2C)C1=O
InChIInChI=1S/C11H17N3O/c1-3-9-4-5-14(11(9)15)7-10-6-12-8-13(10)2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyOMBOCDAYLFCQGM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.18
Rot. Bonds3

About 3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one

3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 67669350) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID67669350
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
SMILESCCC1CCN(Cc2cncn2C)C1=O
InChIInChI=1S/C11H17N3O/c1-3-9-4-5-14(11(9)15)7-10-6-12-8-13(10)2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyOMBOCDAYLFCQGM-UHFFFAOYSA-N
XLogP1.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one (CID 67669350) is 3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one is CCC1CCN(Cc2cncn2C)C1=O.
What is the InChIKey of 3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is OMBOCDAYLFCQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-9-4-5-14(11(9)15)7-10-6-12-8-13(10)2/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one?
3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 67669350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).