ethane;N-(2-ethenoxyprop-2-enyl)acetamide

C9H17NO2 — CID 145336173

IUPACethane;N-(2-ethenoxyprop-2-enyl)acetamide
SMILESC=COC(=C)CNC(C)=O.CC
InChIInChI=1S/C7H11NO2.C2H6/c1-4-10-6(2)5-8-7(3)9;1-2/h4H,1-2,5H2,3H3,(H,8,9);1-2H3
InChIKeyDBSDOBSDQMNFCC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.82
Rot. Bonds4

About ethane;N-(2-ethenoxyprop-2-enyl)acetamide

ethane;N-(2-ethenoxyprop-2-enyl)acetamide (PubChem CID 145336173) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethane;N-(2-ethenoxyprop-2-enyl)acetamide.

Molecular Properties

Compound Nameethane;N-(2-ethenoxyprop-2-enyl)acetamide
PubChem CID145336173
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethane;N-(2-ethenoxyprop-2-enyl)acetamide
SMILESC=COC(=C)CNC(C)=O.CC
InChIInChI=1S/C7H11NO2.C2H6/c1-4-10-6(2)5-8-7(3)9;1-2/h4H,1-2,5H2,3H3,(H,8,9);1-2H3
InChIKeyDBSDOBSDQMNFCC-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethenoxyprop-2-enyl)acetamide?
The IUPAC name of ethane;N-(2-ethenoxyprop-2-enyl)acetamide (CID 145336173) is ethane;N-(2-ethenoxyprop-2-enyl)acetamide.
What is the SMILES notation for ethane;N-(2-ethenoxyprop-2-enyl)acetamide?
The canonical SMILES for ethane;N-(2-ethenoxyprop-2-enyl)acetamide is C=COC(=C)CNC(C)=O.CC.
What is the InChIKey of ethane;N-(2-ethenoxyprop-2-enyl)acetamide?
The InChIKey is DBSDOBSDQMNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C2H6/c1-4-10-6(2)5-8-7(3)9;1-2/h4H,1-2,5H2,3H3,(H,8,9);1-2H3.
What are the key properties of ethane;N-(2-ethenoxyprop-2-enyl)acetamide?
ethane;N-(2-ethenoxyprop-2-enyl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethenoxyprop-2-enyl)acetamide is sourced from PubChem (CID 145336173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).