3-pent-4-yn-2-yl-1H-imidazol-2-one

C8H10N2O — CID 103124927

IUPAC3-pent-4-yn-2-yl-1H-imidazol-2-one
SMILESC#CCC(C)n1cc[nH]c1=O
InChIInChI=1S/C8H10N2O/c1-3-4-7(2)10-6-5-9-8(10)11/h1,5-7H,4H2,2H3,(H,9,11)
InChIKeyQLXVQZVXJWAHLK-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.76
Rot. Bonds2

About 3-pent-4-yn-2-yl-1H-imidazol-2-one

3-pent-4-yn-2-yl-1H-imidazol-2-one (PubChem CID 103124927) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-pent-4-yn-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-pent-4-yn-2-yl-1H-imidazol-2-one
PubChem CID103124927
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-pent-4-yn-2-yl-1H-imidazol-2-one
SMILESC#CCC(C)n1cc[nH]c1=O
InChIInChI=1S/C8H10N2O/c1-3-4-7(2)10-6-5-9-8(10)11/h1,5-7H,4H2,2H3,(H,9,11)
InChIKeyQLXVQZVXJWAHLK-UHFFFAOYSA-N
XLogP0.76
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hex-5-yn-3-yl-1H-imidazol-2-one
CID 103124926
3-(6-methylheptan-2-yl)-1H-imidazol-2-one
CID 103125504
3-(1-piperidin-1-ylpropan-2-yl)-1H-imidazol-2-one
CID 103125516
3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one
CID 103125996
2-(2-oxo-1H-imidazol-3-yl)butanoic acid
CID 66960784
3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one
CID 103125438
3-(1-cyclohexylethyl)-1H-imidazol-2-one
CID 103125595
3-[1-(4-chlorophenyl)ethyl]-1H-imidazol-2-one
CID 103125378
methane;3-propan-2-yl-1H-imidazol-2-one;2-propan-2-yl-4H-1,2,4-triazol-3-one
CID 160814982
1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione
CID 144582240
2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile
CID 103124026
3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one
CID 103125362

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-yn-2-yl-1H-imidazol-2-one?
The IUPAC name of 3-pent-4-yn-2-yl-1H-imidazol-2-one (CID 103124927) is 3-pent-4-yn-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-pent-4-yn-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3-pent-4-yn-2-yl-1H-imidazol-2-one is C#CCC(C)n1cc[nH]c1=O.
What is the InChIKey of 3-pent-4-yn-2-yl-1H-imidazol-2-one?
The InChIKey is QLXVQZVXJWAHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-4-7(2)10-6-5-9-8(10)11/h1,5-7H,4H2,2H3,(H,9,11).
What are the key properties of 3-pent-4-yn-2-yl-1H-imidazol-2-one?
3-pent-4-yn-2-yl-1H-imidazol-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-yn-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 103124927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).