2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide

C9H15NO2 — CID 102118170

IUPAC2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide
SMILESC=C(C)C(=O)NOCC/C=C/C
InChIInChI=1S/C9H15NO2/c1-4-5-6-7-12-10-9(11)8(2)3/h4-5H,2,6-7H2,1,3H3,(H,10,11)/b5-4+
InChIKeyPHNIPSDXXVEMAB-SNAWJCMRSA-N
MW169.22 g/mol
LogP1.58
Rot. Bonds5

About 2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide

2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide (PubChem CID 102118170) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide
PubChem CID102118170
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide
SMILESC=C(C)C(=O)NOCC/C=C/C
InChIInChI=1S/C9H15NO2/c1-4-5-6-7-12-10-9(11)8(2)3/h4-5H,2,6-7H2,1,3H3,(H,10,11)/b5-4+
InChIKeyPHNIPSDXXVEMAB-SNAWJCMRSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.58
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)-hept-5-enoxy]-2-methylprop-2-enamide
CID 102118181
N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
CID 102118200
2-methyl-N-undec-10-enoxyprop-2-enamide
CID 102118216
pent-3-enyl acetate
CID 54089070
pent-3-enyl 3-oxobutanoate
CID 54469402
pent-3-enyl hydrogen carbonate
CID 54464820
2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide
CID 102118191
[(E)-pent-3-enyl] (E)-hex-4-enoate
CID 155647777
[(Z)-pent-3-enyl] N-ethylcarbamate
CID 170200580
N-ethenoxy-2-methylprop-2-enamide
CID 102118163
N-[(E)-hept-1-enoxy]-2-methylprop-2-enamide
CID 102118177
bis(2-methylprop-2-enoylamino) carbonate
CID 174523368

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide?
The IUPAC name of 2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide (CID 102118170) is 2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide is C=C(C)C(=O)NOCC/C=C/C.
What is the InChIKey of 2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide?
The InChIKey is PHNIPSDXXVEMAB-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-6-7-12-10-9(11)8(2)3/h4-5H,2,6-7H2,1,3H3,(H,10,11)/b5-4+.
What are the key properties of 2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide?
2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide is sourced from PubChem (CID 102118170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).