1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one

C11H15N3O — CID 67904599

IUPAC1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one
SMILESC=CCN1C=CC=C(N2CCNC2=O)C1
InChIInChI=1S/C11H15N3O/c1-2-6-13-7-3-4-10(9-13)14-8-5-12-11(14)15/h2-4,7H,1,5-6,8-9H2,(H,12,15)
InChIKeyJAKGPLXOUSESEP-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.91
Rot. Bonds3

About 1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one

1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one (PubChem CID 67904599) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one
PubChem CID67904599
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one
SMILESC=CCN1C=CC=C(N2CCNC2=O)C1
InChIInChI=1S/C11H15N3O/c1-2-6-13-7-3-4-10(9-13)14-8-5-12-11(14)15/h2-4,7H,1,5-6,8-9H2,(H,12,15)
InChIKeyJAKGPLXOUSESEP-UHFFFAOYSA-N
XLogP0.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one?
The IUPAC name of 1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one (CID 67904599) is 1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one is C=CCN1C=CC=C(N2CCNC2=O)C1.
What is the InChIKey of 1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one?
The InChIKey is JAKGPLXOUSESEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-6-13-7-3-4-10(9-13)14-8-5-12-11(14)15/h2-4,7H,1,5-6,8-9H2,(H,12,15).
What are the key properties of 1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one?
1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enyl-2H-pyridin-3-yl)imidazolidin-2-one is sourced from PubChem (CID 67904599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).