(E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide

C16H18N2O4 — CID 52951172

IUPAC(E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide
SMILESCN1CCC2(CC1)Oc1ccc(/C=C/C(=O)NO)cc1C2=O
InChIInChI=1S/C16H18N2O4/c1-18-8-6-16(7-9-18)15(20)12-10-11(2-4-13(12)22-16)3-5-14(19)17-21/h2-5,10,21H,6-9H2,1H3,(H,17,19)/b5-3+
InChIKeyLJKAHHRXQFBAHC-HWKANZROSA-N
MW302.33 g/mol
LogP1.24
Rot. Bonds2

About (E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide

(E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide (PubChem CID 52951172) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide
PubChem CID52951172
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide
SMILESCN1CCC2(CC1)Oc1ccc(/C=C/C(=O)NO)cc1C2=O
InChIInChI=1S/C16H18N2O4/c1-18-8-6-16(7-9-18)15(20)12-10-11(2-4-13(12)22-16)3-5-14(19)17-21/h2-5,10,21H,6-9H2,1H3,(H,17,19)/b5-3+
InChIKeyLJKAHHRXQFBAHC-HWKANZROSA-N
XLogP1.24
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.24
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)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide (CID 52951172) is (E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide is CN1CCC2(CC1)Oc1ccc(/C=C/C(=O)NO)cc1C2=O.
What is the InChIKey of (E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide?
The InChIKey is LJKAHHRXQFBAHC-HWKANZROSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-18-8-6-16(7-9-18)15(20)12-10-11(2-4-13(12)22-16)3-5-14(19)17-21/h2-5,10,21H,6-9H2,1H3,(H,17,19)/b5-3+.
What are the key properties of (E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide?
(E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide has a molecular weight of 302.33 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide is sourced from PubChem (CID 52951172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).