(Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide

C14H18N2O4 — CID 176988239

IUPAC(Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide
SMILESC/C=C\C(C(=O)N(C)C1CCC(=O)NC1=O)=C(/C)C=O
InChIInChI=1S/C14H18N2O4/c1-4-5-10(9(2)8-17)14(20)16(3)11-6-7-12(18)15-13(11)19/h4-5,8,11H,6-7H2,1-3H3,(H,15,18,19)/b5-4-,10-9-
InChIKeyTWDKJRGDYIKFOZ-ACHWKMRWSA-N
MW278.31 g/mol
LogP0.34
Rot. Bonds4

About (Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide

(Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide (PubChem CID 176988239) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide.

Molecular Properties

Compound Name(Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide
PubChem CID176988239
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide
SMILESC/C=C\C(C(=O)N(C)C1CCC(=O)NC1=O)=C(/C)C=O
InChIInChI=1S/C14H18N2O4/c1-4-5-10(9(2)8-17)14(20)16(3)11-6-7-12(18)15-13(11)19/h4-5,8,11H,6-7H2,1-3H3,(H,15,18,19)/b5-4-,10-9-
InChIKeyTWDKJRGDYIKFOZ-ACHWKMRWSA-N
XLogP0.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
CID 135172470
(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
1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
CID 135296477
N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide
CID 145381971
N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide
CID 170247105
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 139363228
tert-butyl N-[(E)-3-[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenyl]prop-2-enyl]carbamate
CID 171809365

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide?
The IUPAC name of (Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide (CID 176988239) is (Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide.
What is the SMILES notation for (Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide?
The canonical SMILES for (Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide is C/C=C\C(C(=O)N(C)C1CCC(=O)NC1=O)=C(/C)C=O.
What is the InChIKey of (Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide?
The InChIKey is TWDKJRGDYIKFOZ-ACHWKMRWSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-5-10(9(2)8-17)14(20)16(3)11-6-7-12(18)15-13(11)19/h4-5,8,11H,6-7H2,1-3H3,(H,15,18,19)/b5-4-,10-9-.
What are the key properties of (Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide?
(Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide has a molecular weight of 278.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide is sourced from PubChem (CID 176988239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).