(2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one

C20H19NO4 — CID 7197972

IUPAC(2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccccc2)Oc2c1ccc(O)c2CN1CCOCC1
InChIInChI=1S/C20H19NO4/c22-17-7-6-15-19(23)18(12-14-4-2-1-3-5-14)25-20(15)16(17)13-21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2/b18-12-
InChIKeyQRVMSXPVWPRHQF-PDGQHHTCSA-N
MW337.38 g/mol
LogP2.84
Rot. Bonds3

About (2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one

(2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one (PubChem CID 7197972) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one
PubChem CID7197972
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccccc2)Oc2c1ccc(O)c2CN1CCOCC1
InChIInChI=1S/C20H19NO4/c22-17-7-6-15-19(23)18(12-14-4-2-1-3-5-14)25-20(15)16(17)13-21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2/b18-12-
InChIKeyQRVMSXPVWPRHQF-PDGQHHTCSA-N
XLogP2.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one (CID 7197972) is (2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one is O=C1/C(=C/c2ccccc2)Oc2c1ccc(O)c2CN1CCOCC1.
What is the InChIKey of (2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one?
The InChIKey is QRVMSXPVWPRHQF-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H19NO4/c22-17-7-6-15-19(23)18(12-14-4-2-1-3-5-14)25-20(15)16(17)13-21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2/b18-12-.
What are the key properties of (2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one?
(2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one has a molecular weight of 337.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one is sourced from PubChem (CID 7197972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).