(4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate

C13H15NO2 — CID 165064391

IUPAC(4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate
SMILES[H]/N=C(/Oc1ccc(OC(=C)C)cc1)C(=C)C
InChIInChI=1S/C13H15NO2/c1-9(2)13(14)16-12-7-5-11(6-8-12)15-10(3)4/h5-8,14H,1,3H2,2,4H3/b14-13+
InChIKeyRSPWSNGVJZADJU-BUHFOSPRSA-N
MW217.27 g/mol
LogP3.53
Rot. Bonds4

About (4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate

(4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate (PubChem CID 165064391) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate.

Molecular Properties

Compound Name(4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate
PubChem CID165064391
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate
SMILES[H]/N=C(/Oc1ccc(OC(=C)C)cc1)C(=C)C
InChIInChI=1S/C13H15NO2/c1-9(2)13(14)16-12-7-5-11(6-8-12)15-10(3)4/h5-8,14H,1,3H2,2,4H3/b14-13+
InChIKeyRSPWSNGVJZADJU-BUHFOSPRSA-N
XLogP3.53
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate?
The IUPAC name of (4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate (CID 165064391) is (4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate.
What is the SMILES notation for (4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate?
The canonical SMILES for (4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate is [H]/N=C(/Oc1ccc(OC(=C)C)cc1)C(=C)C.
What is the InChIKey of (4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate?
The InChIKey is RSPWSNGVJZADJU-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)13(14)16-12-7-5-11(6-8-12)15-10(3)4/h5-8,14H,1,3H2,2,4H3/b14-13+.
What are the key properties of (4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate?
(4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate has a molecular weight of 217.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-1-en-2-yloxyphenyl) 2-methylprop-2-enimidate is sourced from PubChem (CID 165064391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).