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

C17H18N2O5 — CID 51356438

IUPAC(E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESCC(=O)N1CCC2(CC(=O)c3cc(/C=C/C(=O)NO)ccc3O2)C1
InChIInChI=1S/C17H18N2O5/c1-11(20)19-7-6-17(10-19)9-14(21)13-8-12(2-4-15(13)24-17)3-5-16(22)18-23/h2-5,8,23H,6-7,9-10H2,1H3,(H,18,22)/b5-3+
InChIKeyXDGUIBAHCFBPDB-HWKANZROSA-N
MW330.34 g/mol
LogP1.16
Rot. Bonds2

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

(E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide (PubChem CID 51356438) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide
PubChem CID51356438
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESCC(=O)N1CCC2(CC(=O)c3cc(/C=C/C(=O)NO)ccc3O2)C1
InChIInChI=1S/C17H18N2O5/c1-11(20)19-7-6-17(10-19)9-14(21)13-8-12(2-4-15(13)24-17)3-5-16(22)18-23/h2-5,8,23H,6-7,9-10H2,1H3,(H,18,22)/b5-3+
InChIKeyXDGUIBAHCFBPDB-HWKANZROSA-N
XLogP1.16
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.16
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'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide (CID 51356438) is (E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide is CC(=O)N1CCC2(CC(=O)c3cc(/C=C/C(=O)NO)ccc3O2)C1.
What is the InChIKey of (E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide?
The InChIKey is XDGUIBAHCFBPDB-HWKANZROSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11(20)19-7-6-17(10-19)9-14(21)13-8-12(2-4-15(13)24-17)3-5-16(22)18-23/h2-5,8,23H,6-7,9-10H2,1H3,(H,18,22)/b5-3+.
What are the key properties of (E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide?
(E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide has a molecular weight of 330.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1'-acetyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-6-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 51356438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).