N'-hept-5-enyl-N-methyloxamide

C10H18N2O2 — CID 123966835

IUPACN'-hept-5-enyl-N-methyloxamide
SMILESCC=CCCCCNC(=O)C(=O)NC
InChIInChI=1S/C10H18N2O2/c1-3-4-5-6-7-8-12-10(14)9(13)11-2/h3-4H,5-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyIWRLYSONDXVVME-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.60
Rot. Bonds5

About N'-hept-5-enyl-N-methyloxamide

N'-hept-5-enyl-N-methyloxamide (PubChem CID 123966835) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N'-hept-5-enyl-N-methyloxamide.

Molecular Properties

Compound NameN'-hept-5-enyl-N-methyloxamide
PubChem CID123966835
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN'-hept-5-enyl-N-methyloxamide
SMILESCC=CCCCCNC(=O)C(=O)NC
InChIInChI=1S/C10H18N2O2/c1-3-4-5-6-7-8-12-10(14)9(13)11-2/h3-4H,5-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyIWRLYSONDXVVME-UHFFFAOYSA-N
XLogP0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-hept-5-enyl-N-methyloxamide?
The IUPAC name of N'-hept-5-enyl-N-methyloxamide (CID 123966835) is N'-hept-5-enyl-N-methyloxamide.
What is the SMILES notation for N'-hept-5-enyl-N-methyloxamide?
The canonical SMILES for N'-hept-5-enyl-N-methyloxamide is CC=CCCCCNC(=O)C(=O)NC.
What is the InChIKey of N'-hept-5-enyl-N-methyloxamide?
The InChIKey is IWRLYSONDXVVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-4-5-6-7-8-12-10(14)9(13)11-2/h3-4H,5-8H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N'-hept-5-enyl-N-methyloxamide?
N'-hept-5-enyl-N-methyloxamide has a molecular weight of 198.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hept-5-enyl-N-methyloxamide is sourced from PubChem (CID 123966835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).