4-ethynyl-1,3-dimethylimidazolidin-2-one

C7H10N2O — CID 88889577

IUPAC4-ethynyl-1,3-dimethylimidazolidin-2-one
SMILESC#CC1CN(C)C(=O)N1C
InChIInChI=1S/C7H10N2O/c1-4-6-5-8(2)7(10)9(6)3/h1,6H,5H2,2-3H3
InChIKeyNJDCTIXGHFUJFO-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.01
Rot. Bonds

About 4-ethynyl-1,3-dimethylimidazolidin-2-one

4-ethynyl-1,3-dimethylimidazolidin-2-one (PubChem CID 88889577) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-ethynyl-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1,3-dimethylimidazolidin-2-one
PubChem CID88889577
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-ethynyl-1,3-dimethylimidazolidin-2-one
SMILESC#CC1CN(C)C(=O)N1C
InChIInChI=1S/C7H10N2O/c1-4-6-5-8(2)7(10)9(6)3/h1,6H,5H2,2-3H3
InChIKeyNJDCTIXGHFUJFO-UHFFFAOYSA-N
XLogP-0.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethynyl-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4-ethynyl-1,3-dimethylimidazolidin-2-one (CID 88889577) is 4-ethynyl-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-ethynyl-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4-ethynyl-1,3-dimethylimidazolidin-2-one is C#CC1CN(C)C(=O)N1C.
What is the InChIKey of 4-ethynyl-1,3-dimethylimidazolidin-2-one?
The InChIKey is NJDCTIXGHFUJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-6-5-8(2)7(10)9(6)3/h1,6H,5H2,2-3H3.
What are the key properties of 4-ethynyl-1,3-dimethylimidazolidin-2-one?
4-ethynyl-1,3-dimethylimidazolidin-2-one has a molecular weight of 138.17 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 88889577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).