1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone

C13H21N3O2 — CID 116560631

IUPAC1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1CC(OC)CN1
InChIInChI=1S/C13H21N3O2/c1-3-5-16-6-4-14-13(16)8-12(17)11-7-10(18-2)9-15-11/h4,6,10-11,15H,3,5,7-9H2,1-2H3
InChIKeyRJEDHZPVDLWQLP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.78
Rot. Bonds6

About 1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone

1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 116560631) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID116560631
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1CC(OC)CN1
InChIInChI=1S/C13H21N3O2/c1-3-5-16-6-4-14-13(16)8-12(17)11-7-10(18-2)9-15-11/h4,6,10-11,15H,3,5,7-9H2,1-2H3
InChIKeyRJEDHZPVDLWQLP-UHFFFAOYSA-N
XLogP0.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 167906073
1-(3-methyl-1,4-dithian-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115385686
1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784823
1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone
CID 116561696
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116708178
1-(2,3-dihydro-1H-inden-1-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744199
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783536
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone (CID 116560631) is 1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)C1CC(OC)CN1.
What is the InChIKey of 1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is RJEDHZPVDLWQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-16-6-4-14-13(16)8-12(17)11-7-10(18-2)9-15-11/h4,6,10-11,15H,3,5,7-9H2,1-2H3.
What are the key properties of 1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 116560631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).