N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide

C11H19NO2 — CID 102118177

IUPACN-[(E)-hept-1-enoxy]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NO/C=C/CCCCC
InChIInChI=1S/C11H19NO2/c1-4-5-6-7-8-9-14-12-11(13)10(2)3/h8-9H,2,4-7H2,1,3H3,(H,12,13)/b9-8+
InChIKeyLPYDVFUBXJJZKS-CMDGGOBGSA-N
MW197.28 g/mol
LogP2.70
Rot. Bonds7

About N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide

N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide (PubChem CID 102118177) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(E)-hept-1-enoxy]-2-methylprop-2-enamide
PubChem CID102118177
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[(E)-hept-1-enoxy]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NO/C=C/CCCCC
InChIInChI=1S/C11H19NO2/c1-4-5-6-7-8-9-14-12-11(13)10(2)3/h8-9H,2,4-7H2,1,3H3,(H,12,13)/b9-8+
InChIKeyLPYDVFUBXJJZKS-CMDGGOBGSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide
CID 102118207
2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide
CID 102118191
N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
CID 102118200
2-methyl-N-undec-1-enylprop-2-enamide
CID 91243426
N-ethenoxy-2-methylprop-2-enamide
CID 102118163
2-methyl-N-tetracosa-1,3-dienylprop-2-enamide
CID 163255501
[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
CID 6436390
N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide
CID 163255517
[(E)-hexadec-1-enyl] acetate
CID 5376351
dec-4-ene;2-methylprop-2-enoic acid
CID 175689072
[(1Z,9Z)-hexadeca-1,9-dienyl] acetate
CID 175213059
[(1E,8Z)-tetradeca-1,8-dienyl] acetate
CID 11708627

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide?
The IUPAC name of N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide (CID 102118177) is N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide.
What is the SMILES notation for N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide?
The canonical SMILES for N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide is C=C(C)C(=O)NO/C=C/CCCCC.
What is the InChIKey of N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide?
The InChIKey is LPYDVFUBXJJZKS-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-6-7-8-9-14-12-11(13)10(2)3/h8-9H,2,4-7H2,1,3H3,(H,12,13)/b9-8+.
What are the key properties of N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide?
N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide is sourced from PubChem (CID 102118177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).