(E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one

C14H15NO4 — CID 682145

IUPAC(E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C14H15NO4/c16-14(15-5-7-17-8-6-15)4-2-11-1-3-12-13(9-11)19-10-18-12/h1-4,9H,5-8,10H2/b4-2+
InChIKeyYGGASQPEKIGCKJ-DUXPYHPUSA-N
MW261.28 g/mol
LogP1.29
Rot. Bonds2

About (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one

(E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 682145) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID682145
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C14H15NO4/c16-14(15-5-7-17-8-6-15)4-2-11-1-3-12-13(9-11)19-10-18-12/h1-4,9H,5-8,10H2/b4-2+
InChIKeyYGGASQPEKIGCKJ-DUXPYHPUSA-N
XLogP1.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Ilepcimide
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one (CID 682145) is (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccc2c(c1)OCO2)N1CCOCC1.
What is the InChIKey of (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is YGGASQPEKIGCKJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H15NO4/c16-14(15-5-7-17-8-6-15)4-2-11-1-3-12-13(9-11)19-10-18-12/h1-4,9H,5-8,10H2/b4-2+.
What are the key properties of (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 261.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 682145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).