3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

C14H15N3O4 — CID 145382111

IUPAC3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESC=NC1=C(/C(C)=C\C)C(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H15N3O4/c1-4-7(2)10-11(15-3)14(21)17(13(10)20)8-5-6-9(18)16-12(8)19/h4,8H,3,5-6H2,1-2H3,(H,16,18,19)/b7-4-
InChIKeyFUPLTEYSGALISZ-DAXSKMNVSA-N
MW289.29 g/mol
LogP0.08
Rot. Bonds3

About 3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (PubChem CID 145382111) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
PubChem CID145382111
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESC=NC1=C(/C(C)=C\C)C(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H15N3O4/c1-4-7(2)10-11(15-3)14(21)17(13(10)20)8-5-6-9(18)16-12(8)19/h4,8H,3,5-6H2,1-2H3,(H,16,18,19)/b7-4-
InChIKeyFUPLTEYSGALISZ-DAXSKMNVSA-N
XLogP0.08
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (CID 145382111) is 3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is C=NC1=C(/C(C)=C\C)C(=O)N(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is FUPLTEYSGALISZ-DAXSKMNVSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-4-7(2)10-11(15-3)14(21)17(13(10)20)8-5-6-9(18)16-12(8)19/h4,8H,3,5-6H2,1-2H3,(H,16,18,19)/b7-4-.
What are the key properties of 3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 289.29 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(Z)-but-2-en-2-yl]-4-(methylideneamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 145382111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).