(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide

C13H17N3O3 — CID 135172470

IUPAC(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
SMILESC=C/N=C(\C=C/C)C(=O)N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C13H17N3O3/c1-4-6-9(14-5-2)13(19)16(3)10-7-8-11(17)15-12(10)18/h4-6,10H,2,7-8H2,1,3H3,(H,15,17,18)/b6-4-,14-9+
InChIKeyCABHSPYEKCMBNA-AQSUQLKASA-N
MW263.30 g/mol
LogP0.41
Rot. Bonds4

About (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide

(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide (PubChem CID 135172470) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide.

Molecular Properties

Compound Name(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
PubChem CID135172470
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
SMILESC=C/N=C(\C=C/C)C(=O)N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C13H17N3O3/c1-4-6-9(14-5-2)13(19)16(3)10-7-8-11(17)15-12(10)18/h4-6,10H,2,7-8H2,1,3H3,(H,15,17,18)/b6-4-,14-9+
InChIKeyCABHSPYEKCMBNA-AQSUQLKASA-N
XLogP0.41
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide?
The IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide (CID 135172470) is (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide.
What is the SMILES notation for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide?
The canonical SMILES for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide is C=C/N=C(\C=C/C)C(=O)N(C)C1CCC(=O)NC1=O.
What is the InChIKey of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide?
The InChIKey is CABHSPYEKCMBNA-AQSUQLKASA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-6-9(14-5-2)13(19)16(3)10-7-8-11(17)15-12(10)18/h4-6,10H,2,7-8H2,1,3H3,(H,15,17,18)/b6-4-,14-9+.
What are the key properties of (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide?
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide has a molecular weight of 263.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide is sourced from PubChem (CID 135172470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).