1,5-dimethylimidazole;3-propyloxolan-2-one

C12H20N2O2 — CID 142964180

IUPAC1,5-dimethylimidazole;3-propyloxolan-2-one
SMILESCCCC1CCOC1=O.Cc1cncn1C
InChIInChI=1S/C7H12O2.C5H8N2/c1-2-3-6-4-5-9-7(6)8;1-5-3-6-4-7(5)2/h6H,2-5H2,1H3;3-4H,1-2H3
InChIKeyYNUBGVUYBLJDHB-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.08
Rot. Bonds2

About 1,5-dimethylimidazole;3-propyloxolan-2-one

1,5-dimethylimidazole;3-propyloxolan-2-one (PubChem CID 142964180) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,5-dimethylimidazole;3-propyloxolan-2-one.

Molecular Properties

Compound Name1,5-dimethylimidazole;3-propyloxolan-2-one
PubChem CID142964180
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1,5-dimethylimidazole;3-propyloxolan-2-one
SMILESCCCC1CCOC1=O.Cc1cncn1C
InChIInChI=1S/C7H12O2.C5H8N2/c1-2-3-6-4-5-9-7(6)8;1-5-3-6-4-7(5)2/h6H,2-5H2,1H3;3-4H,1-2H3
InChIKeyYNUBGVUYBLJDHB-UHFFFAOYSA-N
XLogP2.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylimidazole;3-propyloxolan-2-one?
The IUPAC name of 1,5-dimethylimidazole;3-propyloxolan-2-one (CID 142964180) is 1,5-dimethylimidazole;3-propyloxolan-2-one.
What is the SMILES notation for 1,5-dimethylimidazole;3-propyloxolan-2-one?
The canonical SMILES for 1,5-dimethylimidazole;3-propyloxolan-2-one is CCCC1CCOC1=O.Cc1cncn1C.
What is the InChIKey of 1,5-dimethylimidazole;3-propyloxolan-2-one?
The InChIKey is YNUBGVUYBLJDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C5H8N2/c1-2-3-6-4-5-9-7(6)8;1-5-3-6-4-7(5)2/h6H,2-5H2,1H3;3-4H,1-2H3.
What are the key properties of 1,5-dimethylimidazole;3-propyloxolan-2-one?
1,5-dimethylimidazole;3-propyloxolan-2-one has a molecular weight of 224.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylimidazole;3-propyloxolan-2-one is sourced from PubChem (CID 142964180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).