(E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one

C15H15NO3 — CID 11586936

IUPAC(E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1coc2ccccc12)N1CCOCC1
InChIInChI=1S/C15H15NO3/c17-15(16-7-9-18-10-8-16)6-5-12-11-19-14-4-2-1-3-13(12)14/h1-6,11H,7-10H2/b6-5+
InChIKeyLSDHRTGXUYZTTK-AATRIKPKSA-N
MW257.29 g/mol
LogP2.30
Rot. Bonds2

About (E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one

(E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 11586936) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID11586936
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1coc2ccccc12)N1CCOCC1
InChIInChI=1S/C15H15NO3/c17-15(16-7-9-18-10-8-16)6-5-12-11-19-14-4-2-1-3-13(12)14/h1-6,11H,7-10H2/b6-5+
InChIKeyLSDHRTGXUYZTTK-AATRIKPKSA-N
XLogP2.30
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-iodophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 123233908
ethane;(E)-3-(2-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 144503557
3-[(E)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-oxoprop-1-enyl]chromen-4-one
CID 108742667
(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 2169518
(E)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 60703625
(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
CID 151039333
ethyl 3-(1-benzofuran-3-yl)prop-2-enoate
CID 169480442
3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110407799
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
methyl 1-[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]piperidine-3-carboxylate
CID 108731401
1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one
CID 71732149
4-(1-benzofuran-3-yl)but-3-enoic acid
CID 170483686

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one (CID 11586936) is (E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C/c1coc2ccccc12)N1CCOCC1.
What is the InChIKey of (E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is LSDHRTGXUYZTTK-AATRIKPKSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(16-7-9-18-10-8-16)6-5-12-11-19-14-4-2-1-3-13(12)14/h1-6,11H,7-10H2/b6-5+.
What are the key properties of (E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 257.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 11586936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).