ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane

C19H28N2O3 — CID 177212189

IUPACethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
SMILESC.C=CC1=C(/C=C(/C)C=C)CN(C2CC(=O)NC(=O)C2)C1=O.CC
InChIInChI=1S/C16H18N2O3.C2H6.CH4/c1-4-10(3)6-11-9-18(16(21)13(11)5-2)12-7-14(19)17-15(20)8-12;1-2;/h4-6,12H,1-2,7-9H2,3H3,(H,17,19,20);1-2H3;1H4/b10-6-;;
InChIKeyJRKQQMKMAHFWMA-LVLXLXDWSA-N
MW332.44 g/mol
LogP2.91
Rot. Bonds4

About ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane

ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane (PubChem CID 177212189) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane.

Molecular Properties

Compound Nameethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
PubChem CID177212189
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
SMILESC.C=CC1=C(/C=C(/C)C=C)CN(C2CC(=O)NC(=O)C2)C1=O.CC
InChIInChI=1S/C16H18N2O3.C2H6.CH4/c1-4-10(3)6-11-9-18(16(21)13(11)5-2)12-7-14(19)17-15(20)8-12;1-2;/h4-6,12H,1-2,7-9H2,3H3,(H,17,19,20);1-2H3;1H4/b10-6-;;
InChIKeyJRKQQMKMAHFWMA-LVLXLXDWSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane?
The IUPAC name of ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane (CID 177212189) is ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane.
What is the SMILES notation for ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane?
The canonical SMILES for ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane is C.C=CC1=C(/C=C(/C)C=C)CN(C2CC(=O)NC(=O)C2)C1=O.CC.
What is the InChIKey of ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane?
The InChIKey is JRKQQMKMAHFWMA-LVLXLXDWSA-N. The full InChI is InChI=1S/C16H18N2O3.C2H6.CH4/c1-4-10(3)6-11-9-18(16(21)13(11)5-2)12-7-14(19)17-15(20)8-12;1-2;/h4-6,12H,1-2,7-9H2,3H3,(H,17,19,20);1-2H3;1H4/b10-6-;;.
What are the key properties of ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane?
ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane has a molecular weight of 332.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane is sourced from PubChem (CID 177212189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).