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

C18H27N3O3 — CID 177318464

IUPACethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione
SMILESC/C=c1\c(=C(C)C)ncn(C2CCC(=O)NC2=O)c1=O.C=C.CC
InChIInChI=1S/C14H17N3O3.C2H6.C2H4/c1-4-9-12(8(2)3)15-7-17(14(9)20)10-5-6-11(18)16-13(10)19;2*1-2/h4,7,10H,5-6H2,1-3H3,(H,16,18,19);1-2H3;1-2H2/b9-4+;;
InChIKeyQGJYXFMDCQWGFT-HPJBNNNXSA-N
MW333.43 g/mol
LogP1.04
Rot. Bonds1

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

ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione (PubChem CID 177318464) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione
PubChem CID177318464
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nameethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione
SMILESC/C=c1\c(=C(C)C)ncn(C2CCC(=O)NC2=O)c1=O.C=C.CC
InChIInChI=1S/C14H17N3O3.C2H6.C2H4/c1-4-9-12(8(2)3)15-7-17(14(9)20)10-5-6-11(18)16-13(10)19;2*1-2/h4,7,10H,5-6H2,1-3H3,(H,16,18,19);1-2H3;1-2H2/b9-4+;;
InChIKeyQGJYXFMDCQWGFT-HPJBNNNXSA-N
XLogP1.04
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione?
The IUPAC name of ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione (CID 177318464) is ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione is C/C=c1\c(=C(C)C)ncn(C2CCC(=O)NC2=O)c1=O.C=C.CC.
What is the InChIKey of ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione?
The InChIKey is QGJYXFMDCQWGFT-HPJBNNNXSA-N. The full InChI is InChI=1S/C14H17N3O3.C2H6.C2H4/c1-4-9-12(8(2)3)15-7-17(14(9)20)10-5-6-11(18)16-13(10)19;2*1-2/h4,7,10H,5-6H2,1-3H3,(H,16,18,19);1-2H3;1-2H2/b9-4+;;.
What are the key properties of ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione?
ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione has a molecular weight of 333.43 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;3-[(5E)-5-ethylidene-6-oxo-4-propan-2-ylidenepyrimidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177318464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).