ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione

C17H23N3O3 — CID 162522044

IUPACethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione
SMILESC=Cc1nc(C)n(C2CCC(=O)NC2=O)c(=O)c1C(=C)C.CC
InChIInChI=1S/C15H17N3O3.C2H6/c1-5-10-13(8(2)3)15(21)18(9(4)16-10)11-6-7-12(19)17-14(11)20;1-2/h5,11H,1-2,6-7H2,3-4H3,(H,17,19,20);1-2H3
InChIKeyWBJBAJDWQYDUPF-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.23
Rot. Bonds3

About ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione

ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 162522044) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione
PubChem CID162522044
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nameethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione
SMILESC=Cc1nc(C)n(C2CCC(=O)NC2=O)c(=O)c1C(=C)C.CC
InChIInChI=1S/C15H17N3O3.C2H6/c1-5-10-13(8(2)3)15(21)18(9(4)16-10)11-6-7-12(19)17-14(11)20;1-2/h5,11H,1-2,6-7H2,3-4H3,(H,17,19,20);1-2H3
InChIKeyWBJBAJDWQYDUPF-UHFFFAOYSA-N
XLogP2.23
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione (CID 162522044) is ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione is C=Cc1nc(C)n(C2CCC(=O)NC2=O)c(=O)c1C(=C)C.CC.
What is the InChIKey of ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is WBJBAJDWQYDUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3.C2H6/c1-5-10-13(8(2)3)15(21)18(9(4)16-10)11-6-7-12(19)17-14(11)20;1-2/h5,11H,1-2,6-7H2,3-4H3,(H,17,19,20);1-2H3.
What are the key properties of ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione?
ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 317.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-ethenyl-2-methyl-6-oxo-5-prop-1-en-2-ylpyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 162522044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).