4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione

C10H14N2O2 — CID 67259370

IUPAC4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione
SMILESC=CCC1(CC=CC)C(=O)NNC1=O
InChIInChI=1S/C10H14N2O2/c1-3-5-7-10(6-4-2)8(13)11-12-9(10)14/h3-5H,2,6-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyODGCCHJLSSRGEP-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.68
Rot. Bonds4

About 4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione

4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione (PubChem CID 67259370) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione
PubChem CID67259370
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione
SMILESC=CCC1(CC=CC)C(=O)NNC1=O
InChIInChI=1S/C10H14N2O2/c1-3-5-7-10(6-4-2)8(13)11-12-9(10)14/h3-5H,2,6-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyODGCCHJLSSRGEP-UHFFFAOYSA-N
XLogP0.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-but-2-enyl]-1-methyl-4-prop-2-enylpyrazolidine-3,5-dione
CID 67260413
5,5-bis(prop-2-enyl)-(2,4,5,6-13C4)1,3-diazinane-2,4,6-trione
CID 76974294
5-[(E)-but-2-enyl]-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5475153
5-but-2-enyl-1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 67259479
5-but-2-enyl-5-(2-methylpropyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 4009292
5-(2-methylpropyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3032321
5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 17336
1,2-diethyl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione
CID 67259415
5-[(E)-but-2-en-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 5352735
5-prop-2-enyl-2-sulfanylidene-5-tetradecyl-1,3-diazinane-4,6-dione
CID 3032767
5-(2-methoxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 24189
2-[(E)-but-2-enyl]-2-prop-2-enyl-1,3-dioxolane
CID 68856408

Frequently Asked Questions

What is the IUPAC name of 4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione?
The IUPAC name of 4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione (CID 67259370) is 4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione?
The canonical SMILES for 4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione is C=CCC1(CC=CC)C(=O)NNC1=O.
What is the InChIKey of 4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione?
The InChIKey is ODGCCHJLSSRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-5-7-10(6-4-2)8(13)11-12-9(10)14/h3-5H,2,6-7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione?
4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione has a molecular weight of 194.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enyl-4-prop-2-enylpyrazolidine-3,5-dione is sourced from PubChem (CID 67259370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).