2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide

C10H16N2O2 — CID 10313529

IUPAC2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNC(=O)C(=C)C
InChIInChI=1S/C10H16N2O2/c1-7(2)9(13)11-5-6-12-10(14)8(3)4/h1,3,5-6H2,2,4H3,(H,11,13)(H,12,14)
InChIKeyPIYJQTKZHLLZQE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.37
Rot. Bonds5

About 2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide

2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide (PubChem CID 10313529) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide
PubChem CID10313529
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNC(=O)C(=C)C
InChIInChI=1S/C10H16N2O2/c1-7(2)9(13)11-5-6-12-10(14)8(3)4/h1,3,5-6H2,2,4H3,(H,11,13)(H,12,14)
InChIKeyPIYJQTKZHLLZQE-UHFFFAOYSA-N
XLogP0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide (CID 10313529) is 2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide is C=C(C)C(=O)NCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide?
The InChIKey is PIYJQTKZHLLZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)9(13)11-5-6-12-10(14)8(3)4/h1,3,5-6H2,2,4H3,(H,11,13)(H,12,14).
What are the key properties of 2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide?
2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylprop-2-enoylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 10313529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).