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

C8H14N2O — CID 103125009

IUPAC3-pentan-3-yl-1H-imidazol-2-one
SMILESCCC(CC)n1cc[nH]c1=O
InChIInChI=1S/C8H14N2O/c1-3-7(4-2)10-6-5-9-8(10)11/h5-7H,3-4H2,1-2H3,(H,9,11)
InChIKeyZGNLWRHVIJVZFQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.54
Rot. Bonds3

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

3-pentan-3-yl-1H-imidazol-2-one (PubChem CID 103125009) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-pentan-3-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-pentan-3-yl-1H-imidazol-2-one
PubChem CID103125009
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-pentan-3-yl-1H-imidazol-2-one
SMILESCCC(CC)n1cc[nH]c1=O
InChIInChI=1S/C8H14N2O/c1-3-7(4-2)10-6-5-9-8(10)11/h5-7H,3-4H2,1-2H3,(H,9,11)
InChIKeyZGNLWRHVIJVZFQ-UHFFFAOYSA-N
XLogP1.54
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-1H-imidazol-2-one?
The IUPAC name of 3-pentan-3-yl-1H-imidazol-2-one (CID 103125009) is 3-pentan-3-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-pentan-3-yl-1H-imidazol-2-one?
The canonical SMILES for 3-pentan-3-yl-1H-imidazol-2-one is CCC(CC)n1cc[nH]c1=O.
What is the InChIKey of 3-pentan-3-yl-1H-imidazol-2-one?
The InChIKey is ZGNLWRHVIJVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-7(4-2)10-6-5-9-8(10)11/h5-7H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 3-pentan-3-yl-1H-imidazol-2-one?
3-pentan-3-yl-1H-imidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-1H-imidazol-2-one is sourced from PubChem (CID 103125009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).