(E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide

C15H13N3O3 — CID 154810740

IUPAC(E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C15H13N3O3/c16-9-11(8-10-4-2-1-3-5-10)14(20)17-12-6-7-13(19)18-15(12)21/h1-5,8,12H,6-7H2,(H,17,20)(H,18,19,21)/b11-8+
InChIKeyXVMNZKSXKSVGGX-DHZHZOJOSA-N
MW283.29 g/mol
LogP0.51
Rot. Bonds3

About (E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide

(E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide (PubChem CID 154810740) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide
PubChem CID154810740
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C15H13N3O3/c16-9-11(8-10-4-2-1-3-5-10)14(20)17-12-6-7-13(19)18-15(12)21/h1-5,8,12H,6-7H2,(H,17,20)(H,18,19,21)/b11-8+
InChIKeyXVMNZKSXKSVGGX-DHZHZOJOSA-N
XLogP0.51
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
(E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide
CID 9045344
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
(1R)-N-(2,6-dioxopiperidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142535910
3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzoic acid
CID 57397719
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-(2,6-dioxopiperidin-3-yl)-3-phenylbenzamide
CID 138467355
(E)-3-[benzyl-(methylideneamino)amino]-N-(2,6-dioxopiperidin-3-yl)-2-methylprop-2-enamide
CID 138466889
2-(oxolane-3-carbonyl)-3-phenylprop-2-enenitrile
CID 122525969
3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide
CID 167770120
(Z)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 2369962

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide (CID 154810740) is (E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide is N#C/C(=C\c1ccccc1)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of (E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide?
The InChIKey is XVMNZKSXKSVGGX-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-9-11(8-10-4-2-1-3-5-10)14(20)17-12-6-7-13(19)18-15(12)21/h1-5,8,12H,6-7H2,(H,17,20)(H,18,19,21)/b11-8+.
What are the key properties of (E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide?
(E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide has a molecular weight of 283.29 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2,6-dioxopiperidin-3-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 154810740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).