(E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one

C14H23NO2 — CID 134897999

IUPAC(E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one
SMILESC=CCC/C(=C\CCC)C(=O)N1CCOCC1
InChIInChI=1S/C14H23NO2/c1-3-5-7-13(8-6-4-2)14(16)15-9-11-17-12-10-15/h3,8H,1,4-7,9-12H2,2H3/b13-8+
InChIKeyAMUIDCVDFWWWSL-MDWZMJQESA-N
MW237.34 g/mol
LogP2.54
Rot. Bonds6

About (E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one

(E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one (PubChem CID 134897999) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one.

Molecular Properties

Compound Name(E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one
PubChem CID134897999
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one
SMILESC=CCC/C(=C\CCC)C(=O)N1CCOCC1
InChIInChI=1S/C14H23NO2/c1-3-5-7-13(8-6-4-2)14(16)15-9-11-17-12-10-15/h3,8H,1,4-7,9-12H2,2H3/b13-8+
InChIKeyAMUIDCVDFWWWSL-MDWZMJQESA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Arachidonoylmorpholine
CID 5283433
(2E,6E)-3,7,11-trimethyl-1-morpholino-dodeca-2,6,10-trien-1-one
CID 5275519
(2E,4E)-5,9-dimethyl-1-morpholin-4-yldeca-2,4,8-trien-1-one
CID 44561469
(2E,6E,8E)-2,6-dimethyl-10-morpholin-4-yl-10-oxodeca-2,6,8-trienal
CID 44561547
Cyclopenten-1-yl(morpholin-4-yl)methanone
CID 12211171
1-(2,6-Dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one
CID 71897557
Cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone
CID 84588579
Cyclopenten-1-yl-(2,3-dimethylmorpholin-4-yl)methanone
CID 86779488
Cyclohexen-1-yl(morpholin-4-yl)methanone
CID 12184550
(E)-2-methyl-1-morpholin-4-ylpent-2-en-1-one
CID 14773869
(E)-1-morpholin-4-yl-2-propylhex-2-en-1-one
CID 101466463
(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one
CID 102594206

Frequently Asked Questions

What is the IUPAC name of (E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one?
The IUPAC name of (E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one (CID 134897999) is (E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one.
What is the SMILES notation for (E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one?
The canonical SMILES for (E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one is C=CCC/C(=C\CCC)C(=O)N1CCOCC1.
What is the InChIKey of (E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one?
The InChIKey is AMUIDCVDFWWWSL-MDWZMJQESA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-7-13(8-6-4-2)14(16)15-9-11-17-12-10-15/h3,8H,1,4-7,9-12H2,2H3/b13-8+.
What are the key properties of (E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one?
(E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one is sourced from PubChem (CID 134897999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).