ethene;4-morpholin-4-ylcyclohex-3-en-1-one

C12H19NO2 — CID 19870065

IUPACethene;4-morpholin-4-ylcyclohex-3-en-1-one
SMILESC=C.O=C1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C10H15NO2.C2H4/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11;1-2/h1H,2-8H2;1-2H2
InChIKeyZXWJXAGUWHTOTF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds1

About ethene;4-morpholin-4-ylcyclohex-3-en-1-one

ethene;4-morpholin-4-ylcyclohex-3-en-1-one (PubChem CID 19870065) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethene;4-morpholin-4-ylcyclohex-3-en-1-one.

Molecular Properties

Compound Nameethene;4-morpholin-4-ylcyclohex-3-en-1-one
PubChem CID19870065
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethene;4-morpholin-4-ylcyclohex-3-en-1-one
SMILESC=C.O=C1CC=C(N2CCOCC2)CC1
InChIInChI=1S/C10H15NO2.C2H4/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11;1-2/h1H,2-8H2;1-2H2
InChIKeyZXWJXAGUWHTOTF-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethene;4-morpholin-4-ylcyclohex-3-en-1-one?
The IUPAC name of ethene;4-morpholin-4-ylcyclohex-3-en-1-one (CID 19870065) is ethene;4-morpholin-4-ylcyclohex-3-en-1-one.
What is the SMILES notation for ethene;4-morpholin-4-ylcyclohex-3-en-1-one?
The canonical SMILES for ethene;4-morpholin-4-ylcyclohex-3-en-1-one is C=C.O=C1CC=C(N2CCOCC2)CC1.
What is the InChIKey of ethene;4-morpholin-4-ylcyclohex-3-en-1-one?
The InChIKey is ZXWJXAGUWHTOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C2H4/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11;1-2/h1H,2-8H2;1-2H2.
What are the key properties of ethene;4-morpholin-4-ylcyclohex-3-en-1-one?
ethene;4-morpholin-4-ylcyclohex-3-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-morpholin-4-ylcyclohex-3-en-1-one is sourced from PubChem (CID 19870065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).