[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate

C20H17NO5 — CID 2000854

IUPAC[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
SMILESO=C1/C(=C/c2ccccc2)Oc2cc(OC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H17NO5/c22-19-16-7-6-15(25-20(23)21-8-10-24-11-9-21)13-17(16)26-18(19)12-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2/b18-12-
InChIKeyQKNLACDWZIVPCE-PDGQHHTCSA-N
MW351.36 g/mol
LogP3.13
Rot. Bonds2

About [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate

[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate (PubChem CID 2000854) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
PubChem CID2000854
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
SMILESO=C1/C(=C/c2ccccc2)Oc2cc(OC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H17NO5/c22-19-16-7-6-15(25-20(23)21-8-10-24-11-9-21)13-17(16)26-18(19)12-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2/b18-12-
InChIKeyQKNLACDWZIVPCE-PDGQHHTCSA-N
XLogP3.13
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
The IUPAC name of [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate (CID 2000854) is [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate.
What is the SMILES notation for [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
The canonical SMILES for [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate is O=C1/C(=C/c2ccccc2)Oc2cc(OC(=O)N3CCOCC3)ccc21.
What is the InChIKey of [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
The InChIKey is QKNLACDWZIVPCE-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H17NO5/c22-19-16-7-6-15(25-20(23)21-8-10-24-11-9-21)13-17(16)26-18(19)12-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2/b18-12-.
What are the key properties of [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate?
[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate is sourced from PubChem (CID 2000854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).