3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione

C14H18N2O3 — CID 171627610

IUPAC3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
SMILESC/C=C\C1=C(CC)CN(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H18N2O3/c1-3-5-10-9(4-2)8-16(14(10)19)11-6-7-12(17)15-13(11)18/h3,5,11H,4,6-8H2,1-2H3,(H,15,17,18)/b5-3-
InChIKeyMURLUMIQFDAIDS-HYXAFXHYSA-N
MW262.31 g/mol
LogP0.92
Rot. Bonds3

About 3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione

3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione (PubChem CID 171627610) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
PubChem CID171627610
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
SMILESC/C=C\C1=C(CC)CN(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H18N2O3/c1-3-5-10-9(4-2)8-16(14(10)19)11-6-7-12(17)15-13(11)18/h3,5,11H,4,6-8H2,1-2H3,(H,15,17,18)/b5-3-
InChIKeyMURLUMIQFDAIDS-HYXAFXHYSA-N
XLogP0.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
CID 176988345
3-[4-methyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 155296764
3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156712076
3-(5-ethenyl-4-ethyl-2,3-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 176988089
3,4-bis[(Z)-prop-1-enyl]-7,8,9,9a-tetrahydro-2H-pyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 143039857
3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 177212209
ethane;3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
CID 177212208
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 130441981
ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
CID 176987678
[(2E)-2-[(4E)-1-(2,6-dioxopiperidin-3-yl)-4-ethylidene-2-oxopyrrolidin-3-ylidene]ethylidene]tungsten
CID 171627444
3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane
CID 170639310
4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 130431899

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione (CID 171627610) is 3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione is C/C=C\C1=C(CC)CN(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is MURLUMIQFDAIDS-HYXAFXHYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-5-10-9(4-2)8-16(14(10)19)11-6-7-12(17)15-13(11)18/h3,5,11H,4,6-8H2,1-2H3,(H,15,17,18)/b5-3-.
What are the key properties of 3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione?
3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 171627610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).