1,3-bis(prop-1-en-2-yl)imidazolidin-2-one

C9H14N2O — CID 54121505

IUPAC1,3-bis(prop-1-en-2-yl)imidazolidin-2-one
SMILESC=C(C)N1CCN(C(=C)C)C1=O
InChIInChI=1S/C9H14N2O/c1-7(2)10-5-6-11(8(3)4)9(10)12/h1,3,5-6H2,2,4H3
InChIKeyNNZYLYKNPJSPDL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.79
Rot. Bonds2

About 1,3-bis(prop-1-en-2-yl)imidazolidin-2-one

1,3-bis(prop-1-en-2-yl)imidazolidin-2-one (PubChem CID 54121505) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,3-bis(prop-1-en-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(prop-1-en-2-yl)imidazolidin-2-one
PubChem CID54121505
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1,3-bis(prop-1-en-2-yl)imidazolidin-2-one
SMILESC=C(C)N1CCN(C(=C)C)C1=O
InChIInChI=1S/C9H14N2O/c1-7(2)10-5-6-11(8(3)4)9(10)12/h1,3,5-6H2,2,4H3
InChIKeyNNZYLYKNPJSPDL-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-bis(prop-1-en-2-yl)imidazolidin-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 1,3-bis(prop-1-en-2-yl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(prop-1-en-2-yl)imidazolidin-2-one (CID 54121505) is 1,3-bis(prop-1-en-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(prop-1-en-2-yl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(prop-1-en-2-yl)imidazolidin-2-one is C=C(C)N1CCN(C(=C)C)C1=O.
What is the InChIKey of 1,3-bis(prop-1-en-2-yl)imidazolidin-2-one?
The InChIKey is NNZYLYKNPJSPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)10-5-6-11(8(3)4)9(10)12/h1,3,5-6H2,2,4H3.
What are the key properties of 1,3-bis(prop-1-en-2-yl)imidazolidin-2-one?
1,3-bis(prop-1-en-2-yl)imidazolidin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-en-2-yl)imidazolidin-2-one is sourced from PubChem (CID 54121505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).