4-penta-1,3-dien-3-ylmorpholine

C9H15NO — CID 91309706

IUPAC4-penta-1,3-dien-3-ylmorpholine
SMILESC=CC(=CC)N1CCOCC1
InChIInChI=1S/C9H15NO/c1-3-9(4-2)10-5-7-11-8-6-10/h3-4H,1,5-8H2,2H3
InChIKeyQEPNZVOENMCIFB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.41
Rot. Bonds2

About 4-penta-1,3-dien-3-ylmorpholine

4-penta-1,3-dien-3-ylmorpholine (PubChem CID 91309706) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-penta-1,3-dien-3-ylmorpholine.

Molecular Properties

Compound Name4-penta-1,3-dien-3-ylmorpholine
PubChem CID91309706
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-penta-1,3-dien-3-ylmorpholine
SMILESC=CC(=CC)N1CCOCC1
InChIInChI=1S/C9H15NO/c1-3-9(4-2)10-5-7-11-8-6-10/h3-4H,1,5-8H2,2H3
InChIKeyQEPNZVOENMCIFB-UHFFFAOYSA-N
XLogP1.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-penta-1,3-dien-3-ylmorpholine?
The IUPAC name of 4-penta-1,3-dien-3-ylmorpholine (CID 91309706) is 4-penta-1,3-dien-3-ylmorpholine.
What is the SMILES notation for 4-penta-1,3-dien-3-ylmorpholine?
The canonical SMILES for 4-penta-1,3-dien-3-ylmorpholine is C=CC(=CC)N1CCOCC1.
What is the InChIKey of 4-penta-1,3-dien-3-ylmorpholine?
The InChIKey is QEPNZVOENMCIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(4-2)10-5-7-11-8-6-10/h3-4H,1,5-8H2,2H3.
What are the key properties of 4-penta-1,3-dien-3-ylmorpholine?
4-penta-1,3-dien-3-ylmorpholine has a molecular weight of 153.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-penta-1,3-dien-3-ylmorpholine is sourced from PubChem (CID 91309706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).