(Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide

C13H13NO4 — CID 143297139

IUPAC(Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide
SMILESCC(=O)/C=C(\Oc1ccccc1)C(=O)NCC=O
InChIInChI=1S/C13H13NO4/c1-10(16)9-12(13(17)14-7-8-15)18-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,14,17)/b12-9-
InChIKeyLWCGROYGWZQTDK-XFXZXTDPSA-N
MW247.25 g/mol
LogP0.85
Rot. Bonds6

About (Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide

(Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide (PubChem CID 143297139) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide.

Molecular Properties

Compound Name(Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide
PubChem CID143297139
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide
SMILESCC(=O)/C=C(\Oc1ccccc1)C(=O)NCC=O
InChIInChI=1S/C13H13NO4/c1-10(16)9-12(13(17)14-7-8-15)18-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,14,17)/b12-9-
InChIKeyLWCGROYGWZQTDK-XFXZXTDPSA-N
XLogP0.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethoxyethane;phenyl N-(2-oxoethyl)carbamate
CID 87640415
2-phenoxy-N-phenylbut-2-enamide
CID 70600024
phenyl N-(2-oxopropyl)carbamate
CID 18713777
(Z)-2-phenoxypent-2-enoic acid
CID 70559179
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
phenyl acetate;hydroiodide
CID 172788123
phenyl 3-acetamidopropanoate
CID 13317977
sodium;hydride;phenyl acetate
CID 159991718
4-phenylpent-3-en-2-one
CID 594380
lithium;hydride;phenyl acetate
CID 173276859
(Z)-4-(benzylamino)-4-ethoxybut-3-en-2-one
CID 101098623

Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide?
The IUPAC name of (Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide (CID 143297139) is (Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide.
What is the SMILES notation for (Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide?
The canonical SMILES for (Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide is CC(=O)/C=C(\Oc1ccccc1)C(=O)NCC=O.
What is the InChIKey of (Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide?
The InChIKey is LWCGROYGWZQTDK-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H13NO4/c1-10(16)9-12(13(17)14-7-8-15)18-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,14,17)/b12-9-.
What are the key properties of (Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide?
(Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide has a molecular weight of 247.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide is sourced from PubChem (CID 143297139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).