2-methoxy-1-(1-propylimidazol-2-yl)ethanone

C9H14N2O2 — CID 63977312

IUPAC2-methoxy-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)COC
InChIInChI=1S/C9H14N2O2/c1-3-5-11-6-4-10-9(11)8(12)7-13-2/h4,6H,3,5,7H2,1-2H3
InChIKeyVFYDOEBOLRIYAZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.12
Rot. Bonds5

About 2-methoxy-1-(1-propylimidazol-2-yl)ethanone

2-methoxy-1-(1-propylimidazol-2-yl)ethanone (PubChem CID 63977312) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methoxy-1-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(1-propylimidazol-2-yl)ethanone
PubChem CID63977312
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methoxy-1-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1C(=O)COC
InChIInChI=1S/C9H14N2O2/c1-3-5-11-6-4-10-9(11)8(12)7-13-2/h4,6H,3,5,7H2,1-2H3
InChIKeyVFYDOEBOLRIYAZ-UHFFFAOYSA-N
XLogP1.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
2-(4-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanone
CID 63977114
1-(1-propylimidazol-2-yl)heptan-1-one
CID 114972716
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
CID 106677480
1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
CID 65129636
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
CID 116706985
methyl 1-butylimidazole-2-carboxylate
CID 137346516
2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one
CID 116593833
2-ethoxy-2-methyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 116710268
ethyl 3-[1-(2-methoxyethyl)imidazol-2-yl]-3-oxopropanoate
CID 58066151

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 2-methoxy-1-(1-propylimidazol-2-yl)ethanone (CID 63977312) is 2-methoxy-1-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1C(=O)COC.
What is the InChIKey of 2-methoxy-1-(1-propylimidazol-2-yl)ethanone?
The InChIKey is VFYDOEBOLRIYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-11-6-4-10-9(11)8(12)7-13-2/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 2-methoxy-1-(1-propylimidazol-2-yl)ethanone?
2-methoxy-1-(1-propylimidazol-2-yl)ethanone has a molecular weight of 182.22 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 63977312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).