(E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one

C11H19NO2 — CID 90042865

IUPAC(E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one
SMILESC/C=C/CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H19NO2/c1-3-4-5-10(2)11(13)12-6-8-14-9-7-12/h3-4,10H,5-9H2,1-2H3/b4-3+
InChIKeyHHAGIMUOFHFSLC-ONEGZZNKSA-N
MW197.28 g/mol
LogP1.45
Rot. Bonds3

About (E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one

(E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one (PubChem CID 90042865) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one.

Molecular Properties

Compound Name(E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one
PubChem CID90042865
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one
SMILESC/C=C/CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H19NO2/c1-3-4-5-10(2)11(13)12-6-8-14-9-7-12/h3-4,10H,5-9H2,1-2H3/b4-3+
InChIKeyHHAGIMUOFHFSLC-ONEGZZNKSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one?
The IUPAC name of (E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one (CID 90042865) is (E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one.
What is the SMILES notation for (E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one?
The canonical SMILES for (E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one is C/C=C/CC(C)C(=O)N1CCOCC1.
What is the InChIKey of (E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one?
The InChIKey is HHAGIMUOFHFSLC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-5-10(2)11(13)12-6-8-14-9-7-12/h3-4,10H,5-9H2,1-2H3/b4-3+.
What are the key properties of (E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one?
(E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one is sourced from PubChem (CID 90042865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).