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

C10H16N2O2 — CID 115701036

IUPAC2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)C(C)C#N
InChIInChI=1S/C10H16N2O2/c1-8(2)7-14-5-4-12-10(13)9(3)6-11/h9H,1,4-5,7H2,2-3H3,(H,12,13)
InChIKeyZCGOZQJHDPBNAO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.85
Rot. Bonds6

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

2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (PubChem CID 115701036) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
PubChem CID115701036
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)C(C)C#N
InChIInChI=1S/C10H16N2O2/c1-8(2)7-14-5-4-12-10(13)9(3)6-11/h9H,1,4-5,7H2,2-3H3,(H,12,13)
InChIKeyZCGOZQJHDPBNAO-UHFFFAOYSA-N
XLogP0.85
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.85
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]propanamide?
The IUPAC name of 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (CID 115701036) is 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.
What is the SMILES notation for 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The canonical SMILES for 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is C=C(C)COCCNC(=O)C(C)C#N.
What is the InChIKey of 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The InChIKey is ZCGOZQJHDPBNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(2)7-14-5-4-12-10(13)9(3)6-11/h9H,1,4-5,7H2,2-3H3,(H,12,13).
What are the key properties of 2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
2-cyano-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.85, 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]propanamide is sourced from PubChem (CID 115701036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).