(Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide

C9H15NO4 — CID 139380319

IUPAC(Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide
SMILESCC(=O)/C=C\C(=O)NCCOCCO
InChIInChI=1S/C9H15NO4/c1-8(12)2-3-9(13)10-4-6-14-7-5-11/h2-3,11H,4-7H2,1H3,(H,10,13)/b3-2-
InChIKeyGKTKWPVNFBGHSF-IHWYPQMZSA-N
MW201.22 g/mol
LogP-0.74
Rot. Bonds7

About (Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide

(Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide (PubChem CID 139380319) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide
PubChem CID139380319
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide
SMILESCC(=O)/C=C\C(=O)NCCOCCO
InChIInChI=1S/C9H15NO4/c1-8(12)2-3-9(13)10-4-6-14-7-5-11/h2-3,11H,4-7H2,1H3,(H,10,13)/b3-2-
InChIKeyGKTKWPVNFBGHSF-IHWYPQMZSA-N
XLogP-0.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide?
The IUPAC name of (Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide (CID 139380319) is (Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide.
What is the SMILES notation for (Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide?
The canonical SMILES for (Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide is CC(=O)/C=C\C(=O)NCCOCCO.
What is the InChIKey of (Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide?
The InChIKey is GKTKWPVNFBGHSF-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H15NO4/c1-8(12)2-3-9(13)10-4-6-14-7-5-11/h2-3,11H,4-7H2,1H3,(H,10,13)/b3-2-.
What are the key properties of (Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide?
(Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide has a molecular weight of 201.22 g/mol, XLogP of -0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide is sourced from PubChem (CID 139380319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).