(E)-1-morpholin-4-yl-2-propylhex-2-en-1-one

C13H23NO2 — CID 101466463

IUPAC(E)-1-morpholin-4-yl-2-propylhex-2-en-1-one
SMILESCCC/C=C(\CCC)C(=O)N1CCOCC1
InChIInChI=1S/C13H23NO2/c1-3-5-7-12(6-4-2)13(15)14-8-10-16-11-9-14/h7H,3-6,8-11H2,1-2H3/b12-7+
InChIKeyMYTSSQZXYHNJSG-KPKJPENVSA-N
MW225.33 g/mol
LogP2.37
Rot. Bonds5

About (E)-1-morpholin-4-yl-2-propylhex-2-en-1-one

(E)-1-morpholin-4-yl-2-propylhex-2-en-1-one (PubChem CID 101466463) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (E)-1-morpholin-4-yl-2-propylhex-2-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-2-propylhex-2-en-1-one
PubChem CID101466463
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(E)-1-morpholin-4-yl-2-propylhex-2-en-1-one
SMILESCCC/C=C(\CCC)C(=O)N1CCOCC1
InChIInChI=1S/C13H23NO2/c1-3-5-7-12(6-4-2)13(15)14-8-10-16-11-9-14/h7H,3-6,8-11H2,1-2H3/b12-7+
InChIKeyMYTSSQZXYHNJSG-KPKJPENVSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-1-morpholin-4-yl-2-propylhex-2-en-1-one?
The IUPAC name of (E)-1-morpholin-4-yl-2-propylhex-2-en-1-one (CID 101466463) is (E)-1-morpholin-4-yl-2-propylhex-2-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-yl-2-propylhex-2-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-yl-2-propylhex-2-en-1-one is CCC/C=C(\CCC)C(=O)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yl-2-propylhex-2-en-1-one?
The InChIKey is MYTSSQZXYHNJSG-KPKJPENVSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-5-7-12(6-4-2)13(15)14-8-10-16-11-9-14/h7H,3-6,8-11H2,1-2H3/b12-7+.
What are the key properties of (E)-1-morpholin-4-yl-2-propylhex-2-en-1-one?
(E)-1-morpholin-4-yl-2-propylhex-2-en-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-yl-2-propylhex-2-en-1-one is sourced from PubChem (CID 101466463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).