2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one

C8H12N2O2 — CID 79616410

IUPAC2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
SMILESCOC(C)C(=O)c1nccn1C
InChIInChI=1S/C8H12N2O2/c1-6(12-3)7(11)8-9-4-5-10(8)2/h4-6H,1-3H3
InChIKeyCLNXTSZWHXGJSG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.64
Rot. Bonds3

About 2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one

2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 79616410) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
PubChem CID79616410
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
SMILESCOC(C)C(=O)c1nccn1C
InChIInChI=1S/C8H12N2O2/c1-6(12-3)7(11)8-9-4-5-10(8)2/h4-6H,1-3H3
InChIKeyCLNXTSZWHXGJSG-UHFFFAOYSA-N
XLogP0.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxypropanoyl)imidazol-1-yl] carbamate
CID 175128085
1-(1-methylimidazol-2-yl)-2-methylsulfonylpropan-1-one
CID 114972971
2-cyclopropyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 114972982
(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid
CID 167014806
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
CID 113218827
methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate
CID 12580317
1-(1-methylimidazol-2-yl)-2-propan-2-ylsulfanylethanone
CID 65134336
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939909
2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 13152280
(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 62876172

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one (CID 79616410) is 2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one is COC(C)C(=O)c1nccn1C.
What is the InChIKey of 2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is CLNXTSZWHXGJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(12-3)7(11)8-9-4-5-10(8)2/h4-6H,1-3H3.
What are the key properties of 2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one?
2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 168.20 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 79616410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).