N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide

C10H16N2O4 — CID 141406279

IUPACN-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide
SMILESCCOC(=C=O)CNC(=O)C1CNCCO1
InChIInChI=1S/C10H16N2O4/c1-2-15-8(7-13)5-12-10(14)9-6-11-3-4-16-9/h9,11H,2-6H2,1H3,(H,12,14)
InChIKeyATBIAOSALLPTED-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.16
Rot. Bonds5

About N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide

N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide (PubChem CID 141406279) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide
PubChem CID141406279
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide
SMILESCCOC(=C=O)CNC(=O)C1CNCCO1
InChIInChI=1S/C10H16N2O4/c1-2-15-8(7-13)5-12-10(14)9-6-11-3-4-16-9/h9,11H,2-6H2,1H3,(H,12,14)
InChIKeyATBIAOSALLPTED-UHFFFAOYSA-N
XLogP-1.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide?
The IUPAC name of N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide (CID 141406279) is N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide?
The canonical SMILES for N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide is CCOC(=C=O)CNC(=O)C1CNCCO1.
What is the InChIKey of N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide?
The InChIKey is ATBIAOSALLPTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-15-8(7-13)5-12-10(14)9-6-11-3-4-16-9/h9,11H,2-6H2,1H3,(H,12,14).
What are the key properties of N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide?
N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-oxoprop-2-enyl)morpholine-2-carboxamide is sourced from PubChem (CID 141406279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).