phthalic acid;prop-2-enamide

C11H11NO5 — CID 89485931

IUPACphthalic acid;prop-2-enamide
SMILESC=CC(N)=O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C3H5NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);2H,1H2,(H2,4,5)
InChIKeyAHYFSRXBEJICKT-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.74
Rot. Bonds3

About phthalic acid;prop-2-enamide

phthalic acid;prop-2-enamide (PubChem CID 89485931) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is phthalic acid;prop-2-enamide.

Molecular Properties

Compound Namephthalic acid;prop-2-enamide
PubChem CID89485931
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Namephthalic acid;prop-2-enamide
SMILESC=CC(N)=O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C3H5NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);2H,1H2,(H2,4,5)
InChIKeyAHYFSRXBEJICKT-UHFFFAOYSA-N
XLogP0.74
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 66717184
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bis(2-methylprop-2-enamide);phthalic acid
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Frequently Asked Questions

What is the IUPAC name of phthalic acid;prop-2-enamide?
The IUPAC name of phthalic acid;prop-2-enamide (CID 89485931) is phthalic acid;prop-2-enamide.
What is the SMILES notation for phthalic acid;prop-2-enamide?
The canonical SMILES for phthalic acid;prop-2-enamide is C=CC(N)=O.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of phthalic acid;prop-2-enamide?
The InChIKey is AHYFSRXBEJICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C3H5NO/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);2H,1H2,(H2,4,5).
What are the key properties of phthalic acid;prop-2-enamide?
phthalic acid;prop-2-enamide has a molecular weight of 237.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phthalic acid;prop-2-enamide is sourced from PubChem (CID 89485931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).