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

C10H17NO2 — CID 76745059

IUPAC1-morpholin-4-ylhex-3-en-1-one
SMILESCCC=CCC(=O)N1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-10(12)11-6-8-13-9-7-11/h3-4H,2,5-9H2,1H3
InChIKeyWGSTXHAZZUHRKB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

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

1-morpholin-4-ylhex-3-en-1-one (PubChem CID 76745059) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-morpholin-4-ylhex-3-en-1-one.

Molecular Properties

Compound Name1-morpholin-4-ylhex-3-en-1-one
PubChem CID76745059
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-morpholin-4-ylhex-3-en-1-one
SMILESCCC=CCC(=O)N1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-10(12)11-6-8-13-9-7-11/h3-4H,2,5-9H2,1H3
InChIKeyWGSTXHAZZUHRKB-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-morpholin-4-ylhex-3-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylhex-3-en-1-one?
The IUPAC name of 1-morpholin-4-ylhex-3-en-1-one (CID 76745059) is 1-morpholin-4-ylhex-3-en-1-one.
What is the SMILES notation for 1-morpholin-4-ylhex-3-en-1-one?
The canonical SMILES for 1-morpholin-4-ylhex-3-en-1-one is CCC=CCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylhex-3-en-1-one?
The InChIKey is WGSTXHAZZUHRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-5-10(12)11-6-8-13-9-7-11/h3-4H,2,5-9H2,1H3.
What are the key properties of 1-morpholin-4-ylhex-3-en-1-one?
1-morpholin-4-ylhex-3-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylhex-3-en-1-one is sourced from PubChem (CID 76745059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).