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

C12H14N2O3 — CID 156712076

IUPAC3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
SMILESC/C=C\C1=CC(=O)N(C2CCC(=O)NC2=O)C1
InChIInChI=1S/C12H14N2O3/c1-2-3-8-6-11(16)14(7-8)9-4-5-10(15)13-12(9)17/h2-3,6,9H,4-5,7H2,1H3,(H,13,15,17)/b3-2-
InChIKeyVCOJGXMXHJIADI-IHWYPQMZSA-N
MW234.25 g/mol
LogP0.14
Rot. Bonds2

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

3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione (PubChem CID 156712076) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
PubChem CID156712076
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
SMILESC/C=C\C1=CC(=O)N(C2CCC(=O)NC2=O)C1
InChIInChI=1S/C12H14N2O3/c1-2-3-8-6-11(16)14(7-8)9-4-5-10(15)13-12(9)17/h2-3,6,9H,4-5,7H2,1H3,(H,13,15,17)/b3-2-
InChIKeyVCOJGXMXHJIADI-IHWYPQMZSA-N
XLogP0.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.14
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

3-[4-methyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 155296764
3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 171627610
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 130441981
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione
CID 156799097
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-(2-methyl-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 69335531
3-[6-methyl-5-[(Z)-prop-1-enyl]-4-azaspiro[2.4]hept-5-en-4-yl]piperidine-2,6-dione
CID 176988235
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
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-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione (CID 156712076) is 3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione is C/C=C\C1=CC(=O)N(C2CCC(=O)NC2=O)C1.
What is the InChIKey of 3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is VCOJGXMXHJIADI-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-3-8-6-11(16)14(7-8)9-4-5-10(15)13-12(9)17/h2-3,6,9H,4-5,7H2,1H3,(H,13,15,17)/b3-2-.
What are the key properties of 3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione?
3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 234.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 156712076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).