(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide

C22H20N2O5 — CID 51356439

IUPAC(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccccc3)C1)O2)NO
InChIInChI=1S/C22H20N2O5/c25-18-13-22(10-11-24(14-22)21(27)16-4-2-1-3-5-16)29-19-8-6-15(12-17(18)19)7-9-20(26)23-28/h1-9,12,28H,10-11,13-14H2,(H,23,26)/b9-7+
InChIKeyIWOWRRKBRNSCEF-VQHVLOKHSA-N
MW392.41 g/mol
LogP2.46
Rot. Bonds3

About (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide

(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide (PubChem CID 51356439) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide
PubChem CID51356439
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccccc3)C1)O2)NO
InChIInChI=1S/C22H20N2O5/c25-18-13-22(10-11-24(14-22)21(27)16-4-2-1-3-5-16)29-19-8-6-15(12-17(18)19)7-9-20(26)23-28/h1-9,12,28H,10-11,13-14H2,(H,23,26)/b9-7+
InChIKeyIWOWRRKBRNSCEF-VQHVLOKHSA-N
XLogP2.46
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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 (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide (CID 51356439) is (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccccc3)C1)O2)NO.
What is the InChIKey of (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide?
The InChIKey is IWOWRRKBRNSCEF-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H20N2O5/c25-18-13-22(10-11-24(14-22)21(27)16-4-2-1-3-5-16)29-19-8-6-15(12-17(18)19)7-9-20(26)23-28/h1-9,12,28H,10-11,13-14H2,(H,23,26)/b9-7+.
What are the key properties of (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide?
(E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide has a molecular weight of 392.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1'-benzoyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 51356439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).