N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide

C13H20N2O2 — CID 2915018

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H20N2O2/c1-2-9-14-12(16)13(17)15-10-8-11-6-4-3-5-7-11/h2,6H,1,3-5,7-10H2,(H,14,16)(H,15,17)
InChIKeyHGMONOBIUHAPBJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.30
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide (PubChem CID 2915018) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide
PubChem CID2915018
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H20N2O2/c1-2-9-14-12(16)13(17)15-10-8-11-6-4-3-5-7-11/h2,6H,1,3-5,7-10H2,(H,14,16)(H,15,17)
InChIKeyHGMONOBIUHAPBJ-UHFFFAOYSA-N
XLogP1.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.30
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-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide (CID 2915018) is N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide?
The InChIKey is HGMONOBIUHAPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-9-14-12(16)13(17)15-10-8-11-6-4-3-5-7-11/h2,6H,1,3-5,7-10H2,(H,14,16)(H,15,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide has a molecular weight of 236.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-prop-2-enyloxamide is sourced from PubChem (CID 2915018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).