1-prop-2-ynylimidazolidin-2-one

C6H8N2O — CID 15669657

IUPAC1-prop-2-ynylimidazolidin-2-one
SMILESC#CCN1CCNC1=O
InChIInChI=1S/C6H8N2O/c1-2-4-8-5-3-7-6(8)9/h1H,3-5H2,(H,7,9)
InChIKeyCJTPKXKFJLIBBK-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.36
Rot. Bonds1

About 1-prop-2-ynylimidazolidin-2-one

1-prop-2-ynylimidazolidin-2-one (PubChem CID 15669657) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-prop-2-ynylimidazolidin-2-one.

Molecular Properties

Compound Name1-prop-2-ynylimidazolidin-2-one
PubChem CID15669657
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-prop-2-ynylimidazolidin-2-one
SMILESC#CCN1CCNC1=O
InChIInChI=1S/C6H8N2O/c1-2-4-8-5-3-7-6(8)9/h1H,3-5H2,(H,7,9)
InChIKeyCJTPKXKFJLIBBK-UHFFFAOYSA-N
XLogP-0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-prop-2-ynylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylimidazolidin-2-one?
The IUPAC name of 1-prop-2-ynylimidazolidin-2-one (CID 15669657) is 1-prop-2-ynylimidazolidin-2-one.
What is the SMILES notation for 1-prop-2-ynylimidazolidin-2-one?
The canonical SMILES for 1-prop-2-ynylimidazolidin-2-one is C#CCN1CCNC1=O.
What is the InChIKey of 1-prop-2-ynylimidazolidin-2-one?
The InChIKey is CJTPKXKFJLIBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-4-8-5-3-7-6(8)9/h1H,3-5H2,(H,7,9).
What are the key properties of 1-prop-2-ynylimidazolidin-2-one?
1-prop-2-ynylimidazolidin-2-one has a molecular weight of 124.14 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylimidazolidin-2-one is sourced from PubChem (CID 15669657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).