1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one

C11H17N3O — CID 67367469

IUPAC1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2ncc[nH]2)C1
InChIInChI=1S/C11H17N3O/c1-2-3-9-6-11(15)14(7-9)8-10-12-4-5-13-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,13)
InChIKeyJOKCFXREBKYJIO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.56
Rot. Bonds4

About 1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one

1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one (PubChem CID 67367469) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
PubChem CID67367469
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2ncc[nH]2)C1
InChIInChI=1S/C11H17N3O/c1-2-3-9-6-11(15)14(7-9)8-10-12-4-5-13-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,13)
InChIKeyJOKCFXREBKYJIO-UHFFFAOYSA-N
XLogP1.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one (CID 67367469) is 1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2ncc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one?
The InChIKey is JOKCFXREBKYJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-9-6-11(15)14(7-9)8-10-12-4-5-13-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,13).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one?
1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one is sourced from PubChem (CID 67367469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).