1,3,4-trimethylimidazolidin-2-one

C6H12N2O — CID 10313143

IUPAC1,3,4-trimethylimidazolidin-2-one
SMILESCC1CN(C)C(=O)N1C
InChIInChI=1S/C6H12N2O/c1-5-4-7(2)6(9)8(5)3/h5H,4H2,1-3H3
InChIKeyJJNFHWKVZWAKEB-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.37
Rot. Bonds

About 1,3,4-trimethylimidazolidin-2-one

1,3,4-trimethylimidazolidin-2-one (PubChem CID 10313143) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,3,4-trimethylimidazolidin-2-one.

Molecular Properties

Compound Name1,3,4-trimethylimidazolidin-2-one
PubChem CID10313143
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1,3,4-trimethylimidazolidin-2-one
SMILESCC1CN(C)C(=O)N1C
InChIInChI=1S/C6H12N2O/c1-5-4-7(2)6(9)8(5)3/h5H,4H2,1-3H3
InChIKeyJJNFHWKVZWAKEB-UHFFFAOYSA-N
XLogP0.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethylimidazolidin-2-one?
The IUPAC name of 1,3,4-trimethylimidazolidin-2-one (CID 10313143) is 1,3,4-trimethylimidazolidin-2-one.
What is the SMILES notation for 1,3,4-trimethylimidazolidin-2-one?
The canonical SMILES for 1,3,4-trimethylimidazolidin-2-one is CC1CN(C)C(=O)N1C.
What is the InChIKey of 1,3,4-trimethylimidazolidin-2-one?
The InChIKey is JJNFHWKVZWAKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-4-7(2)6(9)8(5)3/h5H,4H2,1-3H3.
What are the key properties of 1,3,4-trimethylimidazolidin-2-one?
1,3,4-trimethylimidazolidin-2-one has a molecular weight of 128.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethylimidazolidin-2-one is sourced from PubChem (CID 10313143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).