3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one

C13H22N2O2 — CID 116708178

IUPAC3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
SMILESCCCC(OC)C(=O)Cc1nccn1CCC
InChIInChI=1S/C13H22N2O2/c1-4-6-12(17-3)11(16)10-13-14-7-9-15(13)8-5-2/h7,9,12H,4-6,8,10H2,1-3H3
InChIKeyFOSAMUOSYWILJA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.22
Rot. Bonds8

About 3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one

3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one (PubChem CID 116708178) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
PubChem CID116708178
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
SMILESCCCC(OC)C(=O)Cc1nccn1CCC
InChIInChI=1S/C13H22N2O2/c1-4-6-12(17-3)11(16)10-13-14-7-9-15(13)8-5-2/h7,9,12H,4-6,8,10H2,1-3H3
InChIKeyFOSAMUOSYWILJA-UHFFFAOYSA-N
XLogP2.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
2-[(1-propylimidazol-2-yl)methyl]pentanoic acid
CID 83043652
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
CID 116582877
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
1-(2-methylpropylsulfanyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744194
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one?
The IUPAC name of 3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one (CID 116708178) is 3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one.
What is the SMILES notation for 3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one?
The canonical SMILES for 3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one is CCCC(OC)C(=O)Cc1nccn1CCC.
What is the InChIKey of 3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one?
The InChIKey is FOSAMUOSYWILJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-6-12(17-3)11(16)10-13-14-7-9-15(13)8-5-2/h7,9,12H,4-6,8,10H2,1-3H3.
What are the key properties of 3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one?
3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one has a molecular weight of 238.33 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one is sourced from PubChem (CID 116708178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).