(E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide

C15H15N3O4 — CID 177377698

IUPAC(E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide
SMILESCN1C(=O)CNC(=O)/C1=C/c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C15H15N3O4/c1-18-12(15(21)16-9-14(18)20)8-11-4-2-10(3-5-11)6-7-13(19)17-22/h2-8,22H,9H2,1H3,(H,16,21)(H,17,19)/b7-6+,12-8-
InChIKeyXXTLNJCUXJYBCH-KWUPLBGHSA-N
MW301.30 g/mol
LogP0.13
Rot. Bonds3

About (E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide (PubChem CID 177377698) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide
PubChem CID177377698
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide
SMILESCN1C(=O)CNC(=O)/C1=C/c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C15H15N3O4/c1-18-12(15(21)16-9-14(18)20)8-11-4-2-10(3-5-11)6-7-13(19)17-22/h2-8,22H,9H2,1H3,(H,16,21)(H,17,19)/b7-6+,12-8-
InChIKeyXXTLNJCUXJYBCH-KWUPLBGHSA-N
XLogP0.13
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide (CID 177377698) is (E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide is CN1C(=O)CNC(=O)/C1=C/c1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide?
The InChIKey is XXTLNJCUXJYBCH-KWUPLBGHSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-18-12(15(21)16-9-14(18)20)8-11-4-2-10(3-5-11)6-7-13(19)17-22/h2-8,22H,9H2,1H3,(H,16,21)(H,17,19)/b7-6+,12-8-.
What are the key properties of (E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide has a molecular weight of 301.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 177377698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).