4-methyl-3-prop-2-ynyl-1H-imidazol-2-one

C7H8N2O — CID 10942486

IUPAC4-methyl-3-prop-2-ynyl-1H-imidazol-2-one
SMILESC#CCn1c(C)c[nH]c1=O
InChIInChI=1S/C7H8N2O/c1-3-4-9-6(2)5-8-7(9)10/h1,5H,4H2,2H3,(H,8,10)
InChIKeyQGVSHILPMMTSKL-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.12
Rot. Bonds1

About 4-methyl-3-prop-2-ynyl-1H-imidazol-2-one

4-methyl-3-prop-2-ynyl-1H-imidazol-2-one (PubChem CID 10942486) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-methyl-3-prop-2-ynyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-prop-2-ynyl-1H-imidazol-2-one
PubChem CID10942486
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name4-methyl-3-prop-2-ynyl-1H-imidazol-2-one
SMILESC#CCn1c(C)c[nH]c1=O
InChIInChI=1S/C7H8N2O/c1-3-4-9-6(2)5-8-7(9)10/h1,5H,4H2,2H3,(H,8,10)
InChIKeyQGVSHILPMMTSKL-UHFFFAOYSA-N
XLogP0.12
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-prop-2-ynyl-1H-imidazol-2-one?
The IUPAC name of 4-methyl-3-prop-2-ynyl-1H-imidazol-2-one (CID 10942486) is 4-methyl-3-prop-2-ynyl-1H-imidazol-2-one.
What is the SMILES notation for 4-methyl-3-prop-2-ynyl-1H-imidazol-2-one?
The canonical SMILES for 4-methyl-3-prop-2-ynyl-1H-imidazol-2-one is C#CCn1c(C)c[nH]c1=O.
What is the InChIKey of 4-methyl-3-prop-2-ynyl-1H-imidazol-2-one?
The InChIKey is QGVSHILPMMTSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-3-4-9-6(2)5-8-7(9)10/h1,5H,4H2,2H3,(H,8,10).
What are the key properties of 4-methyl-3-prop-2-ynyl-1H-imidazol-2-one?
4-methyl-3-prop-2-ynyl-1H-imidazol-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-prop-2-ynyl-1H-imidazol-2-one is sourced from PubChem (CID 10942486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).