3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione

C7H12N2O3 — CID 60880652

IUPAC3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione
SMILESCC(O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C7H12N2O3/c1-5(10)3-9-6(11)4-8(2)7(9)12/h5,10H,3-4H2,1-2H3
InChIKeyBHJLNXPLFIQXAB-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.74
Rot. Bonds2

About 3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione

3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione (PubChem CID 60880652) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione
PubChem CID60880652
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione
SMILESCC(O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C7H12N2O3/c1-5(10)3-9-6(11)4-8(2)7(9)12/h5,10H,3-4H2,1-2H3
InChIKeyBHJLNXPLFIQXAB-UHFFFAOYSA-N
XLogP-0.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione (CID 60880652) is 3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione is CC(O)CN1C(=O)CN(C)C1=O.
What is the InChIKey of 3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is BHJLNXPLFIQXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(10)3-9-6(11)4-8(2)7(9)12/h5,10H,3-4H2,1-2H3.
What are the key properties of 3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione?
3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 172.18 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 60880652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).