acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione

C17H24N2O3 — CID 176988345

IUPACacetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
SMILESC#C.C=CC1=C(CC)CN(C2CCC(=O)NC2=O)C1=O.CC
InChIInChI=1S/C13H16N2O3.C2H6.C2H2/c1-3-8-7-15(13(18)9(8)4-2)10-5-6-11(16)14-12(10)17;2*1-2/h4,10H,2-3,5-7H2,1H3,(H,14,16,17);1-2H3;1-2H
InChIKeyJVGGZXFUZINOPX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.80
Rot. Bonds3

About acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione

acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione (PubChem CID 176988345) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nameacetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
PubChem CID176988345
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameacetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
SMILESC#C.C=CC1=C(CC)CN(C2CCC(=O)NC2=O)C1=O.CC
InChIInChI=1S/C13H16N2O3.C2H6.C2H2/c1-3-8-7-15(13(18)9(8)4-2)10-5-6-11(16)14-12(10)17;2*1-2/h4,10H,2-3,5-7H2,1H3,(H,14,16,17);1-2H3;1-2H
InChIKeyJVGGZXFUZINOPX-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 171627610
ethane;3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
CID 177212208
3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 177212209
3-(5-ethenyl-4-ethyl-2,3-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 176988089
ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane
CID 170739207
3-[4-methyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 155296764
3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 144997340
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 130441981
3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane
CID 170639310
ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177343937
3-[5-(dimethylamino)-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342441

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione?
The IUPAC name of acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione (CID 176988345) is acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione?
The canonical SMILES for acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione is C#C.C=CC1=C(CC)CN(C2CCC(=O)NC2=O)C1=O.CC.
What is the InChIKey of acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione?
The InChIKey is JVGGZXFUZINOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3.C2H6.C2H2/c1-3-8-7-15(13(18)9(8)4-2)10-5-6-11(16)14-12(10)17;2*1-2/h4,10H,2-3,5-7H2,1H3,(H,14,16,17);1-2H3;1-2H.
What are the key properties of acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione?
acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione has a molecular weight of 304.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 176988345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).