benzamido 2-methylprop-2-enoate

C11H11NO3 — CID 23160400

IUPACbenzamido 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C11H11NO3/c1-8(2)11(14)15-12-10(13)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,12,13)
InChIKeyMIXQWVIPHYLBHL-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.45
Rot. Bonds2

About benzamido 2-methylprop-2-enoate

benzamido 2-methylprop-2-enoate (PubChem CID 23160400) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is benzamido 2-methylprop-2-enoate.

Molecular Properties

Compound Namebenzamido 2-methylprop-2-enoate
PubChem CID23160400
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namebenzamido 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C11H11NO3/c1-8(2)11(14)15-12-10(13)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,12,13)
InChIKeyMIXQWVIPHYLBHL-UHFFFAOYSA-N
XLogP1.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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 benzamido 2-methylprop-2-enoate?
The IUPAC name of benzamido 2-methylprop-2-enoate (CID 23160400) is benzamido 2-methylprop-2-enoate.
What is the SMILES notation for benzamido 2-methylprop-2-enoate?
The canonical SMILES for benzamido 2-methylprop-2-enoate is C=C(C)C(=O)ONC(=O)c1ccccc1.
What is the InChIKey of benzamido 2-methylprop-2-enoate?
The InChIKey is MIXQWVIPHYLBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8(2)11(14)15-12-10(13)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,12,13).
What are the key properties of benzamido 2-methylprop-2-enoate?
benzamido 2-methylprop-2-enoate has a molecular weight of 205.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido 2-methylprop-2-enoate is sourced from PubChem (CID 23160400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).