2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

C11H18N2O2 — CID 115700254

IUPAC2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)C(C)(C)C#N
InChIInChI=1S/C11H18N2O2/c1-9(2)7-15-6-5-13-10(14)11(3,4)8-12/h1,5-7H2,2-4H3,(H,13,14)
InChIKeyVVVMSFSXUHLDCB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.25
Rot. Bonds6

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

2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (PubChem CID 115700254) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
PubChem CID115700254
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)C(C)(C)C#N
InChIInChI=1S/C11H18N2O2/c1-9(2)7-15-6-5-13-10(14)11(3,4)8-12/h1,5-7H2,2-4H3,(H,13,14)
InChIKeyVVVMSFSXUHLDCB-UHFFFAOYSA-N
XLogP1.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.25
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-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (CID 115700254) is 2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is C=C(C)COCCNC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The InChIKey is VVVMSFSXUHLDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)7-15-6-5-13-10(14)11(3,4)8-12/h1,5-7H2,2-4H3,(H,13,14).
What are the key properties of 2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide has a molecular weight of 210.28 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is sourced from PubChem (CID 115700254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).