N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide

C11H19NO2 — CID 102118181

IUPACN-[(E)-hept-5-enoxy]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NOCCCC/C=C/C
InChIInChI=1S/C11H19NO2/c1-4-5-6-7-8-9-14-12-11(13)10(2)3/h4-5H,2,6-9H2,1,3H3,(H,12,13)/b5-4+
InChIKeyXVMXFRJIMOZFGZ-SNAWJCMRSA-N
MW197.28 g/mol
LogP2.36
Rot. Bonds7

About N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide

N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide (PubChem CID 102118181) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(E)-hept-5-enoxy]-2-methylprop-2-enamide
PubChem CID102118181
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[(E)-hept-5-enoxy]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NOCCCC/C=C/C
InChIInChI=1S/C11H19NO2/c1-4-5-6-7-8-9-14-12-11(13)10(2)3/h4-5H,2,6-9H2,1,3H3,(H,12,13)/b5-4+
InChIKeyXVMXFRJIMOZFGZ-SNAWJCMRSA-N
XLogP2.36
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 ≤ 52.36
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

2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide
CID 102118170
2-methyl-N-undec-10-enoxyprop-2-enamide
CID 102118216
N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
CID 102118200
2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide
CID 102118191
tridec-11-enyl acetate
CID 537063
[(E)-tetradec-12-enyl] acetate
CID 5365773
dec-8-enyl acetate
CID 73186998
[(10Z,14Z)-hexadeca-10,14-dienyl] acetate
CID 102055670
[(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate
CID 171776219
N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide
CID 102118177
2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide
CID 102118207
[(Z)-non-7-enyl] (E)-6-methyloct-6-enoate
CID 163319800

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide?
The IUPAC name of N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide (CID 102118181) is N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide.
What is the SMILES notation for N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide?
The canonical SMILES for N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide is C=C(C)C(=O)NOCCCC/C=C/C.
What is the InChIKey of N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide?
The InChIKey is XVMXFRJIMOZFGZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-6-7-8-9-14-12-11(13)10(2)3/h4-5H,2,6-9H2,1,3H3,(H,12,13)/b5-4+.
What are the key properties of N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide?
N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide is sourced from PubChem (CID 102118181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).