5-methyl-1-morpholin-4-ylhex-4-en-3-one

C11H19NO2 — CID 3028623

IUPAC5-methyl-1-morpholin-4-ylhex-4-en-3-one
SMILESCC(C)=CC(=O)CCN1CCOCC1
InChIInChI=1S/C11H19NO2/c1-10(2)9-11(13)3-4-12-5-7-14-8-6-12/h9H,3-8H2,1-2H3
InChIKeyUHTJYBVNUATGPA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.24
Rot. Bonds4

About 5-methyl-1-morpholin-4-ylhex-4-en-3-one

5-methyl-1-morpholin-4-ylhex-4-en-3-one (PubChem CID 3028623) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-methyl-1-morpholin-4-ylhex-4-en-3-one.

Molecular Properties

Compound Name5-methyl-1-morpholin-4-ylhex-4-en-3-one
PubChem CID3028623
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5-methyl-1-morpholin-4-ylhex-4-en-3-one
SMILESCC(C)=CC(=O)CCN1CCOCC1
InChIInChI=1S/C11H19NO2/c1-10(2)9-11(13)3-4-12-5-7-14-8-6-12/h9H,3-8H2,1-2H3
InChIKeyUHTJYBVNUATGPA-UHFFFAOYSA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.24
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

2-Methyl-5-morpholin-4-ylpent-2-enoyl fluoride
CID 140393512
4-Methyl-5-morpholinopent-3-en-2-one
CID 129771446
5-Methyl-1-morpholino-4-hexen-3-one hydrochloride
CID 3028622
(E)-6-morpholin-4-ylhex-4-en-3-one
CID 14765507
(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one
CID 14765509
2,3,5-Trimethyl-6-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 20537745
2-Ethyl-5-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 21643426
2-Methyl-5-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 57021562
3,5-Dimethyl-2-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 66583941
4-(3-Morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one
CID 141247582
(4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one
CID 142407007
(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one
CID 145369355

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-morpholin-4-ylhex-4-en-3-one?
The IUPAC name of 5-methyl-1-morpholin-4-ylhex-4-en-3-one (CID 3028623) is 5-methyl-1-morpholin-4-ylhex-4-en-3-one.
What is the SMILES notation for 5-methyl-1-morpholin-4-ylhex-4-en-3-one?
The canonical SMILES for 5-methyl-1-morpholin-4-ylhex-4-en-3-one is CC(C)=CC(=O)CCN1CCOCC1.
What is the InChIKey of 5-methyl-1-morpholin-4-ylhex-4-en-3-one?
The InChIKey is UHTJYBVNUATGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)9-11(13)3-4-12-5-7-14-8-6-12/h9H,3-8H2,1-2H3.
What are the key properties of 5-methyl-1-morpholin-4-ylhex-4-en-3-one?
5-methyl-1-morpholin-4-ylhex-4-en-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-morpholin-4-ylhex-4-en-3-one is sourced from PubChem (CID 3028623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).