1,3-dimethylimidazol-2-one

C5H8N2O — CID 6933312

IUPAC1,3-dimethylimidazol-2-one
SMILESCn1ccn(C)c1=O
InChIInChI=1S/C5H8N2O/c1-6-3-4-7(2)5(6)8/h3-4H,1-2H3
InChIKeyCFQPVBJOKYSPKG-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.28
Rot. Bonds

About 1,3-dimethylimidazol-2-one

1,3-dimethylimidazol-2-one (PubChem CID 6933312) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1,3-dimethylimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethylimidazol-2-one
PubChem CID6933312
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1,3-dimethylimidazol-2-one
SMILESCn1ccn(C)c1=O
InChIInChI=1S/C5H8N2O/c1-6-3-4-7(2)5(6)8/h3-4H,1-2H3
InChIKeyCFQPVBJOKYSPKG-UHFFFAOYSA-N
XLogP-0.28
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazol-2-one?
The IUPAC name of 1,3-dimethylimidazol-2-one (CID 6933312) is 1,3-dimethylimidazol-2-one.
What is the SMILES notation for 1,3-dimethylimidazol-2-one?
The canonical SMILES for 1,3-dimethylimidazol-2-one is Cn1ccn(C)c1=O.
What is the InChIKey of 1,3-dimethylimidazol-2-one?
The InChIKey is CFQPVBJOKYSPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-6-3-4-7(2)5(6)8/h3-4H,1-2H3.
What are the key properties of 1,3-dimethylimidazol-2-one?
1,3-dimethylimidazol-2-one has a molecular weight of 112.13 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazol-2-one is sourced from PubChem (CID 6933312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).