2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone

C10H17N3O — CID 21079140

IUPAC2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCN1C=CN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C10H17N3O/c1-11-6-7-12(9-11)8-10(14)13-4-2-3-5-13/h6-7H,2-5,8-9H2,1H3
InChIKeySFSIWYXEWSRWGP-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.28
Rot. Bonds2

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

2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 21079140) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID21079140
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCN1C=CN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C10H17N3O/c1-11-6-7-12(9-11)8-10(14)13-4-2-3-5-13/h6-7H,2-5,8-9H2,1H3
InChIKeySFSIWYXEWSRWGP-UHFFFAOYSA-N
XLogP0.28
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 22220796
2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
CID 173113910
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162283756
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 71131603
1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103898098
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone (CID 21079140) is 2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone is CN1C=CN(CC(=O)N2CCCC2)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is SFSIWYXEWSRWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-6-7-12(9-11)8-10(14)13-4-2-3-5-13/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone?
2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 195.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 21079140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).