3-propan-2-yl-1H-imidazol-2-one

C6H10N2O — CID 21037405

IUPAC3-propan-2-yl-1H-imidazol-2-one
SMILESCC(C)n1cc[nH]c1=O
InChIInChI=1S/C6H10N2O/c1-5(2)8-4-3-7-6(8)9/h3-5H,1-2H3,(H,7,9)
InChIKeyYANWIOIEGWOZGP-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.76
Rot. Bonds1

About 3-propan-2-yl-1H-imidazol-2-one

3-propan-2-yl-1H-imidazol-2-one (PubChem CID 21037405) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1H-imidazol-2-one
PubChem CID21037405
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-propan-2-yl-1H-imidazol-2-one
SMILESCC(C)n1cc[nH]c1=O
InChIInChI=1S/C6H10N2O/c1-5(2)8-4-3-7-6(8)9/h3-5H,1-2H3,(H,7,9)
InChIKeyYANWIOIEGWOZGP-UHFFFAOYSA-N
XLogP0.76
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of 3-propan-2-yl-1H-imidazol-2-one (CID 21037405) is 3-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3-propan-2-yl-1H-imidazol-2-one is CC(C)n1cc[nH]c1=O.
What is the InChIKey of 3-propan-2-yl-1H-imidazol-2-one?
The InChIKey is YANWIOIEGWOZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)8-4-3-7-6(8)9/h3-5H,1-2H3,(H,7,9).
What are the key properties of 3-propan-2-yl-1H-imidazol-2-one?
3-propan-2-yl-1H-imidazol-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 21037405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).