3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione

C16H17N3O3 — CID 154993594

IUPAC3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C/C=C1/C(=O)N(C2CCC(=O)NC2=O)C(=C)/C1=C(\N)C=C
InChIInChI=1S/C16H17N3O3/c1-4-6-10-14(11(17)5-2)9(3)19(16(10)22)12-7-8-13(20)18-15(12)21/h4-6,12H,1-3,7-8,17H2,(H,18,20,21)/b10-6+,14-11+
InChIKeyCAPPLZAGJGZQCB-YMOPAIQUSA-N
MW299.33 g/mol
LogP0.66
Rot. Bonds3

About 3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione

3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 154993594) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
PubChem CID154993594
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C/C=C1/C(=O)N(C2CCC(=O)NC2=O)C(=C)/C1=C(\N)C=C
InChIInChI=1S/C16H17N3O3/c1-4-6-10-14(11(17)5-2)9(3)19(16(10)22)12-7-8-13(20)18-15(12)21/h4-6,12H,1-3,7-8,17H2,(H,18,20,21)/b10-6+,14-11+
InChIKeyCAPPLZAGJGZQCB-YMOPAIQUSA-N
XLogP0.66
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170609618
3-(3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 123483431
(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 130441791
3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 166996744
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897
3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170639222
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 154595724
3-[(3E,4Z)-4-butan-2-ylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-6-methylidenepiperidin-2-one;methanol
CID 163268113
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 144997340
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione (CID 154993594) is 3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione is C=C/C=C1/C(=O)N(C2CCC(=O)NC2=O)C(=C)/C1=C(\N)C=C.
What is the InChIKey of 3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione?
The InChIKey is CAPPLZAGJGZQCB-YMOPAIQUSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-4-6-10-14(11(17)5-2)9(3)19(16(10)22)12-7-8-13(20)18-15(12)21/h4-6,12H,1-3,7-8,17H2,(H,18,20,21)/b10-6+,14-11+.
What are the key properties of 3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione?
3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 299.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 154993594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).