2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone

C12H19N3O2 — CID 110269320

IUPAC2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Cc2nccn2C)C1
InChIInChI=1S/C12H19N3O2/c1-14-6-4-13-11(14)7-10-3-5-15(8-10)12(16)9-17-2/h4,6,10H,3,5,7-9H2,1-2H3
InChIKeyHZGTYNAJYOLSMT-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.46
Rot. Bonds4

About 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone

2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110269320) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID110269320
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Cc2nccn2C)C1
InChIInChI=1S/C12H19N3O2/c1-14-6-4-13-11(14)7-10-3-5-15(8-10)12(16)9-17-2/h4,6,10H,3,5,7-9H2,1-2H3
InChIKeyHZGTYNAJYOLSMT-UHFFFAOYSA-N
XLogP0.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-1-[(3S)-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95843170
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyrimidin-4-ylpropan-1-one
CID 126776469
(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 120992898
2-methoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 124984345
2-methoxy-1-[3-[[5-(1H-pyrazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110101383
2-[3-[[1-(2-methoxyacetyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 110120228
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 100904592
1-(2,6-dimethylmorpholin-4-yl)-2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 86771068
3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 119143572
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 139008515
3-[3-[[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 125017944

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone (CID 110269320) is 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone is COCC(=O)N1CCC(Cc2nccn2C)C1.
What is the InChIKey of 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is HZGTYNAJYOLSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-6-4-13-11(14)7-10-3-5-15(8-10)12(16)9-17-2/h4,6,10H,3,5,7-9H2,1-2H3.
What are the key properties of 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 237.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110269320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).