2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone

C11H19N3O — CID 21078916

IUPAC2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1N(C)C=CN1CC(=O)N1CCCC1
InChIInChI=1S/C11H19N3O/c1-10-12(2)7-8-14(10)9-11(15)13-5-3-4-6-13/h7-8,10H,3-6,9H2,1-2H3
InChIKeySKUPMSIJPGCLIA-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.67
Rot. Bonds2

About 2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone

2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 21078916) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID21078916
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1N(C)C=CN1CC(=O)N1CCCC1
InChIInChI=1S/C11H19N3O/c1-10-12(2)7-8-14(10)9-11(15)13-5-3-4-6-13/h7-8,10H,3-6,9H2,1-2H3
InChIKeySKUPMSIJPGCLIA-UHFFFAOYSA-N
XLogP0.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone (CID 21078916) is 2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone is CC1N(C)C=CN1CC(=O)N1CCCC1.
What is the InChIKey of 2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is SKUPMSIJPGCLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10-12(2)7-8-14(10)9-11(15)13-5-3-4-6-13/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 209.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 21078916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).