3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione

C14H15NO3 — CID 137381966

IUPAC3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione
SMILESC=CC1=C(/C=C\C)C(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H15NO3/c1-3-5-9-8(4-2)13(17)12(9)10-6-7-11(16)15-14(10)18/h3-5,10,12H,2,6-7H2,1H3,(H,15,16,18)/b5-3-
InChIKeyLPTQDUIRMRBGMZ-HYXAFXHYSA-N
MW245.28 g/mol
LogP1.30
Rot. Bonds3

About 3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione

3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione (PubChem CID 137381966) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione
PubChem CID137381966
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione
SMILESC=CC1=C(/C=C\C)C(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H15NO3/c1-3-5-9-8(4-2)13(17)12(9)10-6-7-11(16)15-14(10)18/h3-5,10,12H,2,6-7H2,1H3,(H,15,16,18)/b5-3-
InChIKeyLPTQDUIRMRBGMZ-HYXAFXHYSA-N
XLogP1.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione (CID 137381966) is 3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione is C=CC1=C(/C=C\C)C(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione?
The InChIKey is LPTQDUIRMRBGMZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-5-9-8(4-2)13(17)12(9)10-6-7-11(16)15-14(10)18/h3-5,10,12H,2,6-7H2,1H3,(H,15,16,18)/b5-3-.
What are the key properties of 3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione?
3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione has a molecular weight of 245.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethenyl-4-oxo-2-[(Z)-prop-1-enyl]cyclobut-2-en-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 137381966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).