N'-prop-2-enyloxamide

C5H8N2O2 — CID 22736542

IUPACN'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(N)=O
InChIInChI=1S/C5H8N2O2/c1-2-3-7-5(9)4(6)8/h2H,1,3H2,(H2,6,8)(H,7,9)
InChIKeyKGJYECREUMFWFM-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.23
Rot. Bonds2

About N'-prop-2-enyloxamide

N'-prop-2-enyloxamide (PubChem CID 22736542) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-prop-2-enyloxamide
PubChem CID22736542
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(N)=O
InChIInChI=1S/C5H8N2O2/c1-2-3-7-5(9)4(6)8/h2H,1,3H2,(H2,6,8)(H,7,9)
InChIKeyKGJYECREUMFWFM-UHFFFAOYSA-N
XLogP-1.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enyloxamide?
The IUPAC name of N'-prop-2-enyloxamide (CID 22736542) is N'-prop-2-enyloxamide.
What is the SMILES notation for N'-prop-2-enyloxamide?
The canonical SMILES for N'-prop-2-enyloxamide is C=CCNC(=O)C(N)=O.
What is the InChIKey of N'-prop-2-enyloxamide?
The InChIKey is KGJYECREUMFWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-3-7-5(9)4(6)8/h2H,1,3H2,(H2,6,8)(H,7,9).
What are the key properties of N'-prop-2-enyloxamide?
N'-prop-2-enyloxamide has a molecular weight of 128.13 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enyloxamide is sourced from PubChem (CID 22736542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).