1,3-dimethylimidazolidin-2-one;hydrate

C5H12N2O2 — CID 68782599

IUPAC1,3-dimethylimidazolidin-2-one;hydrate
SMILESCN1CCN(C)C1=O.O
InChIInChI=1S/C5H10N2O.H2O/c1-6-3-4-7(2)5(6)8;/h3-4H2,1-2H3;1H2
InChIKeyCBBHJKJRZAMDHL-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.84
Rot. Bonds

About 1,3-dimethylimidazolidin-2-one;hydrate

1,3-dimethylimidazolidin-2-one;hydrate (PubChem CID 68782599) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1,3-dimethylimidazolidin-2-one;hydrate.

Molecular Properties

Compound Name1,3-dimethylimidazolidin-2-one;hydrate
PubChem CID68782599
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name1,3-dimethylimidazolidin-2-one;hydrate
SMILESCN1CCN(C)C1=O.O
InChIInChI=1S/C5H10N2O.H2O/c1-6-3-4-7(2)5(6)8;/h3-4H2,1-2H3;1H2
InChIKeyCBBHJKJRZAMDHL-UHFFFAOYSA-N
XLogP-0.84
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazolidin-2-one;hydrate?
The IUPAC name of 1,3-dimethylimidazolidin-2-one;hydrate (CID 68782599) is 1,3-dimethylimidazolidin-2-one;hydrate.
What is the SMILES notation for 1,3-dimethylimidazolidin-2-one;hydrate?
The canonical SMILES for 1,3-dimethylimidazolidin-2-one;hydrate is CN1CCN(C)C1=O.O.
What is the InChIKey of 1,3-dimethylimidazolidin-2-one;hydrate?
The InChIKey is CBBHJKJRZAMDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.H2O/c1-6-3-4-7(2)5(6)8;/h3-4H2,1-2H3;1H2.
What are the key properties of 1,3-dimethylimidazolidin-2-one;hydrate?
1,3-dimethylimidazolidin-2-one;hydrate has a molecular weight of 132.16 g/mol, XLogP of -0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazolidin-2-one;hydrate is sourced from PubChem (CID 68782599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).