2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide

C13H23NO2 — CID 102118191

IUPAC2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide
SMILESC=C(C)C(=O)NOC/C=C/CCCCCC
InChIInChI=1S/C13H23NO2/c1-4-5-6-7-8-9-10-11-16-14-13(15)12(2)3/h9-10H,2,4-8,11H2,1,3H3,(H,14,15)/b10-9+
InChIKeyVQVJFYZMFQXFCB-MDZDMXLPSA-N
MW225.33 g/mol
LogP3.14
Rot. Bonds9

About 2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide

2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide (PubChem CID 102118191) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide
PubChem CID102118191
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide
SMILESC=C(C)C(=O)NOC/C=C/CCCCCC
InChIInChI=1S/C13H23NO2/c1-4-5-6-7-8-9-10-11-16-14-13(15)12(2)3/h9-10H,2,4-8,11H2,1,3H3,(H,14,15)/b10-9+
InChIKeyVQVJFYZMFQXFCB-MDZDMXLPSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
CID 102118200
2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide
CID 102118207
N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide
CID 102118177
2-methyl-N-undec-1-enylprop-2-enamide
CID 91243426
[(2E,8Z)-tetradeca-2,8-dienyl] acetate
CID 177398223
[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
CID 6436390
2-methyl-N-tetracosa-1,3-dienylprop-2-enamide
CID 163255501
bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
bis[(E)-undec-2-enyl] (E)-but-2-enedioate
CID 91701287
acetic acid;(E)-tetradec-7-ene
CID 174697247
2-methyl-N-undec-10-enoxyprop-2-enamide
CID 102118216
N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide
CID 163255517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide?
The IUPAC name of 2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide (CID 102118191) is 2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide is C=C(C)C(=O)NOC/C=C/CCCCCC.
What is the InChIKey of 2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide?
The InChIKey is VQVJFYZMFQXFCB-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-5-6-7-8-9-10-11-16-14-13(15)12(2)3/h9-10H,2,4-8,11H2,1,3H3,(H,14,15)/b10-9+.
What are the key properties of 2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide?
2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide has a molecular weight of 225.33 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide is sourced from PubChem (CID 102118191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).