1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione

C8H10N2O2 — CID 15620660

IUPAC1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
SMILESC=CCN1C(=O)N(CC=C)C1=O
InChIInChI=1S/C8H10N2O2/c1-3-5-9-7(11)10(6-4-2)8(9)12/h3-4H,1-2,5-6H2
InChIKeyMVMPAXRRHYFQFG-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.22
Rot. Bonds4

About 1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione

1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione (PubChem CID 15620660) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
PubChem CID15620660
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
SMILESC=CCN1C(=O)N(CC=C)C1=O
InChIInChI=1S/C8H10N2O2/c1-3-5-9-7(11)10(6-4-2)8(9)12/h3-4H,1-2,5-6H2
InChIKeyMVMPAXRRHYFQFG-UHFFFAOYSA-N
XLogP1.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione 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-2-enyl)-1,3-diazetidine-2,4-dione?
The IUPAC name of 1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione (CID 15620660) is 1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione.
What is the SMILES notation for 1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione?
The canonical SMILES for 1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione is C=CCN1C(=O)N(CC=C)C1=O.
What is the InChIKey of 1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione?
The InChIKey is MVMPAXRRHYFQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-5-9-7(11)10(6-4-2)8(9)12/h3-4H,1-2,5-6H2.
What are the key properties of 1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione?
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione has a molecular weight of 166.18 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione is sourced from PubChem (CID 15620660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).