2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

C9H14N2O2 — CID 114393276

IUPAC2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)CC#N
InChIInChI=1S/C9H14N2O2/c1-8(2)7-13-6-5-11-9(12)3-4-10/h1,3,5-7H2,2H3,(H,11,12)
InChIKeyZGUNDWIBOQNBDY-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.61
Rot. Bonds6

About 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (PubChem CID 114393276) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
PubChem CID114393276
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)CC#N
InChIInChI=1S/C9H14N2O2/c1-8(2)7-13-6-5-11-9(12)3-4-10/h1,3,5-7H2,2H3,(H,11,12)
InChIKeyZGUNDWIBOQNBDY-UHFFFAOYSA-N
XLogP0.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (CID 114393276) is 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is C=C(C)COCCNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The InChIKey is ZGUNDWIBOQNBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-8(2)7-13-6-5-11-9(12)3-4-10/h1,3,5-7H2,2H3,(H,11,12).
What are the key properties of 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide has a molecular weight of 182.22 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is sourced from PubChem (CID 114393276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).