4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one

C7H12N2O2 — CID 91592302

IUPAC4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1c(O)cn(C)c1=O
InChIInChI=1S/C7H12N2O2/c1-5(2)9-6(10)4-8(3)7(9)11/h4-5,10H,1-3H3
InChIKeyVCENYWVMDSQDQX-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.47
Rot. Bonds1

About 4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one

4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one (PubChem CID 91592302) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one
PubChem CID91592302
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1c(O)cn(C)c1=O
InChIInChI=1S/C7H12N2O2/c1-5(2)9-6(10)4-8(3)7(9)11/h4-5,10H,1-3H3
InChIKeyVCENYWVMDSQDQX-UHFFFAOYSA-N
XLogP0.47
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one (CID 91592302) is 4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one is CC(C)n1c(O)cn(C)c1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one?
The InChIKey is VCENYWVMDSQDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(2)9-6(10)4-8(3)7(9)11/h4-5,10H,1-3H3.
What are the key properties of 4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one?
4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 91592302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).