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'}

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Related Compounds

1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 15051391
1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione
CID 90198430
3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 143077874
1-butyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 89280580
2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 123730959
4,5-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
CID 70257866
2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid
CID 119350297
2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13184973
5,6-dimethyl-2-prop-2-enylisoindole-1,3-dione
CID 102041761
2,5-dimethylidene-1-prop-2-enylpyrrolidine
CID 144985086
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
1-prop-2-enyl-3H-pyridine-2,6-dione
CID 131019098

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).