1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one

C9H15N2O+ — CID 22725847

IUPAC1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one
SMILESC=CC[N+]1(CC=C)CCNC1=O
InChIInChI=1S/C9H14N2O/c1-3-6-11(7-4-2)8-5-10-9(11)12/h3-4H,1-2,5-8H2/p+1
InChIKeyQEWISWJLLZQWIM-UHFFFAOYSA-O
MW167.23 g/mol
LogP0.90
Rot. Bonds4

About 1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one

1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one (PubChem CID 22725847) has the molecular formula C9H15N2O+ and a molecular weight of 167.23 g/mol. Its IUPAC name is 1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one.

Molecular Properties

Compound Name1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one
PubChem CID22725847
Molecular FormulaC9H15N2O+
Molecular Weight167.23 g/mol
Exact Mass167.12
IUPAC Name1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one
SMILESC=CC[N+]1(CC=C)CCNC1=O
InChIInChI=1S/C9H14N2O/c1-3-6-11(7-4-2)8-5-10-9(11)12/h3-4H,1-2,5-8H2/p+1
InChIKeyQEWISWJLLZQWIM-UHFFFAOYSA-O
XLogP0.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1-bis(prop-2-enyl)imidazolidin-1-ium-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 1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one?
The IUPAC name of 1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one (CID 22725847) is 1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one.
What is the SMILES notation for 1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one?
The canonical SMILES for 1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one is C=CC[N+]1(CC=C)CCNC1=O.
What is the InChIKey of 1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one?
The InChIKey is QEWISWJLLZQWIM-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2O/c1-3-6-11(7-4-2)8-5-10-9(11)12/h3-4H,1-2,5-8H2/p+1.
What are the key properties of 1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one?
1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one has a molecular weight of 167.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one is sourced from PubChem (CID 22725847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).