1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one

C12H19N3O — CID 116606043

IUPAC1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESCCn1ccnc1C(=O)CCC1CCNC1
InChIInChI=1S/C12H19N3O/c1-2-15-8-7-14-12(15)11(16)4-3-10-5-6-13-9-10/h7-8,10,13H,2-6,9H2,1H3
InChIKeyPAMLKCIIOGJUEW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one

1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one (PubChem CID 116606043) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
PubChem CID116606043
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESCCn1ccnc1C(=O)CCC1CCNC1
InChIInChI=1S/C12H19N3O/c1-2-15-8-7-14-12(15)11(16)4-3-10-5-6-13-9-10/h7-8,10,13H,2-6,9H2,1H3
InChIKeyPAMLKCIIOGJUEW-UHFFFAOYSA-N
XLogP1.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one
CID 114796570
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116588362
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605952
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
CID 103986228
1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606120
1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one
CID 55156625
2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
CID 116599518
2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116579048

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one (CID 116606043) is 1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one is CCn1ccnc1C(=O)CCC1CCNC1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one?
The InChIKey is PAMLKCIIOGJUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-8-7-14-12(15)11(16)4-3-10-5-6-13-9-10/h7-8,10,13H,2-6,9H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one?
1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 116606043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).