3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione

C15H17N3O3 — CID 154671437

IUPAC3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione
SMILESC=Cc1c(/C=C\C)nc(C)n(C2CCC(=O)NC2=O)c1=O
InChIInChI=1S/C15H17N3O3/c1-4-6-11-10(5-2)15(21)18(9(3)16-11)12-7-8-13(19)17-14(12)20/h4-6,12H,2,7-8H2,1,3H3,(H,17,19,20)/b6-4-
InChIKeyADGNAWFAPNBTHU-XQRVVYSFSA-N
MW287.32 g/mol
LogP1.21
Rot. Bonds3

About 3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione

3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione (PubChem CID 154671437) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione
PubChem CID154671437
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione
SMILESC=Cc1c(/C=C\C)nc(C)n(C2CCC(=O)NC2=O)c1=O
InChIInChI=1S/C15H17N3O3/c1-4-6-11-10(5-2)15(21)18(9(3)16-11)12-7-8-13(19)17-14(12)20/h4-6,12H,2,7-8H2,1,3H3,(H,17,19,20)/b6-4-
InChIKeyADGNAWFAPNBTHU-XQRVVYSFSA-N
XLogP1.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.21
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 3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione (CID 154671437) is 3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione is C=Cc1c(/C=C\C)nc(C)n(C2CCC(=O)NC2=O)c1=O.
What is the InChIKey of 3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione?
The InChIKey is ADGNAWFAPNBTHU-XQRVVYSFSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-4-6-11-10(5-2)15(21)18(9(3)16-11)12-7-8-13(19)17-14(12)20/h4-6,12H,2,7-8H2,1,3H3,(H,17,19,20)/b6-4-.
What are the key properties of 3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione?
3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione has a molecular weight of 287.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethenyl-2-methyl-6-oxo-4-[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 154671437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).