1-but-3-yn-2-yl-3-methylimidazolidin-2-one

C8H12N2O — CID 19753281

IUPAC1-but-3-yn-2-yl-3-methylimidazolidin-2-one
SMILESC#CC(C)N1CCN(C)C1=O
InChIInChI=1S/C8H12N2O/c1-4-7(2)10-6-5-9(3)8(10)11/h1,7H,5-6H2,2-3H3
InChIKeyQTOLRPXOLMYELU-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.38
Rot. Bonds1

About 1-but-3-yn-2-yl-3-methylimidazolidin-2-one

1-but-3-yn-2-yl-3-methylimidazolidin-2-one (PubChem CID 19753281) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-but-3-yn-2-yl-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-but-3-yn-2-yl-3-methylimidazolidin-2-one
PubChem CID19753281
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-but-3-yn-2-yl-3-methylimidazolidin-2-one
SMILESC#CC(C)N1CCN(C)C1=O
InChIInChI=1S/C8H12N2O/c1-4-7(2)10-6-5-9(3)8(10)11/h1,7H,5-6H2,2-3H3
InChIKeyQTOLRPXOLMYELU-UHFFFAOYSA-N
XLogP0.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-propan-2-ylimidazolidin-2-one
CID 14177967
1-methyl-3-(3-oxopentan-2-yl)imidazolidin-2-one
CID 64867372
1,3-dimethylimidazolidin-2-one;hydrate
CID 68782599
1-[(E)-hex-3-en-2-yl]-3-methylimidazolidin-2-one
CID 45277379
1,3-dimethyl-1,3-diazepan-2-one
CID 27949
acetonitrile;1,3-dimethylimidazolidin-2-one
CID 69408679
1-but-3-yn-2-ylazetidin-3-one
CID 91622712
1-but-3-yn-2-yl-3-(propan-2-ylamino)piperidin-2-one
CID 114420364
1-but-3-yn-2-yl-3-methylpiperazine-2,5-dione
CID 114420528
1-but-3-yn-2-yl-3-(cyclopropylamino)piperidin-2-one
CID 114420365
3-but-3-yn-2-yl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114419200
1-iodo-3-methylimidazolidin-2-one
CID 129182782

Frequently Asked Questions

What is the IUPAC name of 1-but-3-yn-2-yl-3-methylimidazolidin-2-one?
The IUPAC name of 1-but-3-yn-2-yl-3-methylimidazolidin-2-one (CID 19753281) is 1-but-3-yn-2-yl-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-but-3-yn-2-yl-3-methylimidazolidin-2-one?
The canonical SMILES for 1-but-3-yn-2-yl-3-methylimidazolidin-2-one is C#CC(C)N1CCN(C)C1=O.
What is the InChIKey of 1-but-3-yn-2-yl-3-methylimidazolidin-2-one?
The InChIKey is QTOLRPXOLMYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-7(2)10-6-5-9(3)8(10)11/h1,7H,5-6H2,2-3H3.
What are the key properties of 1-but-3-yn-2-yl-3-methylimidazolidin-2-one?
1-but-3-yn-2-yl-3-methylimidazolidin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-yn-2-yl-3-methylimidazolidin-2-one is sourced from PubChem (CID 19753281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).