1-(3-ethynylphenyl)imidazolidin-2-one

C11H10N2O — CID 61342478

IUPAC1-(3-ethynylphenyl)imidazolidin-2-one
SMILESC#Cc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C11H10N2O/c1-2-9-4-3-5-10(8-9)13-7-6-12-11(13)14/h1,3-5,8H,6-7H2,(H,12,14)
InChIKeyAOQWVHUEAFCBMF-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.20
Rot. Bonds1

About 1-(3-ethynylphenyl)imidazolidin-2-one

1-(3-ethynylphenyl)imidazolidin-2-one (PubChem CID 61342478) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(3-ethynylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-ethynylphenyl)imidazolidin-2-one
PubChem CID61342478
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-(3-ethynylphenyl)imidazolidin-2-one
SMILESC#Cc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C11H10N2O/c1-2-9-4-3-5-10(8-9)13-7-6-12-11(13)14/h1,3-5,8H,6-7H2,(H,12,14)
InChIKeyAOQWVHUEAFCBMF-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
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 1-(3-ethynylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(3-ethynylphenyl)imidazolidin-2-one (CID 61342478) is 1-(3-ethynylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-ethynylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-ethynylphenyl)imidazolidin-2-one is C#Cc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-(3-ethynylphenyl)imidazolidin-2-one?
The InChIKey is AOQWVHUEAFCBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-9-4-3-5-10(8-9)13-7-6-12-11(13)14/h1,3-5,8H,6-7H2,(H,12,14).
What are the key properties of 1-(3-ethynylphenyl)imidazolidin-2-one?
1-(3-ethynylphenyl)imidazolidin-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethynylphenyl)imidazolidin-2-one is sourced from PubChem (CID 61342478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).