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

C18H29N3O3 — CID 177240393

IUPACethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
SMILESC/C=c1/c(=O)n(C2CCC(=O)NC2=O)cn/c1=C/CC.CC.CC
InChIInChI=1S/C14H17N3O3.2C2H6/c1-3-5-10-9(4-2)14(20)17(8-15-10)11-6-7-12(18)16-13(11)19;2*1-2/h4-5,8,11H,3,6-7H2,1-2H3,(H,16,18,19);2*1-2H3/b9-4+,10-5+;;
InChIKeyITMRZXORWCRDTH-ZIDMWSFOSA-N
MW335.45 g/mol
LogP1.26
Rot. Bonds2

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

ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione (PubChem CID 177240393) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
PubChem CID177240393
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nameethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
SMILESC/C=c1/c(=O)n(C2CCC(=O)NC2=O)cn/c1=C/CC.CC.CC
InChIInChI=1S/C14H17N3O3.2C2H6/c1-3-5-10-9(4-2)14(20)17(8-15-10)11-6-7-12(18)16-13(11)19;2*1-2/h4-5,8,11H,3,6-7H2,1-2H3,(H,16,18,19);2*1-2H3/b9-4+,10-5+;;
InChIKeyITMRZXORWCRDTH-ZIDMWSFOSA-N
XLogP1.26
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.26
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,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione (CID 177240393) is ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione is C/C=c1/c(=O)n(C2CCC(=O)NC2=O)cn/c1=C/CC.CC.CC.
What is the InChIKey of ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
The InChIKey is ITMRZXORWCRDTH-ZIDMWSFOSA-N. The full InChI is InChI=1S/C14H17N3O3.2C2H6/c1-3-5-10-9(4-2)14(20)17(8-15-10)11-6-7-12(18)16-13(11)19;2*1-2/h4-5,8,11H,3,6-7H2,1-2H3,(H,16,18,19);2*1-2H3/b9-4+,10-5+;;.
What are the key properties of ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione has a molecular weight of 335.45 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(4E,5E)-5-ethylidene-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177240393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).