ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione

C17H25N3O3 — CID 177240379

IUPACethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
SMILESCC.CC/C=c1/ncn(C2CCC(=O)NC2=O)c(=O)c1=C(C)C
InChIInChI=1S/C15H19N3O3.C2H6/c1-4-5-10-13(9(2)3)15(21)18(8-16-10)11-6-7-12(19)17-14(11)20;1-2/h5,8,11H,4,6-7H2,1-3H3,(H,17,19,20);1-2H3/b10-5+;
InChIKeyHRWSFTKLGCRHHA-OAZHBLANSA-N
MW319.41 g/mol
LogP0.63
Rot. Bonds2

About ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione

ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione (PubChem CID 177240379) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
PubChem CID177240379
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nameethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
SMILESCC.CC/C=c1/ncn(C2CCC(=O)NC2=O)c(=O)c1=C(C)C
InChIInChI=1S/C15H19N3O3.C2H6/c1-4-5-10-13(9(2)3)15(21)18(8-16-10)11-6-7-12(19)17-14(11)20;1-2/h5,8,11H,4,6-7H2,1-3H3,(H,17,19,20);1-2H3/b10-5+;
InChIKeyHRWSFTKLGCRHHA-OAZHBLANSA-N
XLogP0.63
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.63
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-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione (CID 177240379) is ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione is CC.CC/C=c1/ncn(C2CCC(=O)NC2=O)c(=O)c1=C(C)C.
What is the InChIKey of ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
The InChIKey is HRWSFTKLGCRHHA-OAZHBLANSA-N. The full InChI is InChI=1S/C15H19N3O3.C2H6/c1-4-5-10-13(9(2)3)15(21)18(8-16-10)11-6-7-12(19)17-14(11)20;1-2/h5,8,11H,4,6-7H2,1-3H3,(H,17,19,20);1-2H3/b10-5+;.
What are the key properties of ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione has a molecular weight of 319.41 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(4E)-6-oxo-5-propan-2-ylidene-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177240379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).