methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate

C12H13NO3 — CID 11195345

IUPACmethyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate
SMILESC=CC(O/N=C/C(=O)OC)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-3-11(10-7-5-4-6-8-10)16-13-9-12(14)15-2/h3-9,11H,1H2,2H3/b13-9+
InChIKeyDHBXQMOUUTYINK-UKTHLTGXSA-N
MW219.24 g/mol
LogP2.09
Rot. Bonds5

About methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate

methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate (PubChem CID 11195345) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate
PubChem CID11195345
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate
SMILESC=CC(O/N=C/C(=O)OC)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-3-11(10-7-5-4-6-8-10)16-13-9-12(14)15-2/h3-9,11H,1H2,2H3/b13-9+
InChIKeyDHBXQMOUUTYINK-UKTHLTGXSA-N
XLogP2.09
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate?
The IUPAC name of methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate (CID 11195345) is methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate.
What is the SMILES notation for methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate?
The canonical SMILES for methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate is C=CC(O/N=C/C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate?
The InChIKey is DHBXQMOUUTYINK-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H13NO3/c1-3-11(10-7-5-4-6-8-10)16-13-9-12(14)15-2/h3-9,11H,1H2,2H3/b13-9+.
What are the key properties of methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate?
methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate has a molecular weight of 219.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate is sourced from PubChem (CID 11195345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).