(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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Related Compounds

(Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide
CID 176988239
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methylpent-3-enamide
CID 167136379
N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide
CID 172546434
N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide
CID 142367681
N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide
CID 138466898
(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane
CID 172587311
N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide
CID 145381971
1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
CID 135296477
3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one
CID 178137938
(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide
CID 168945737
N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide
CID 170247105

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).