4-cyclohept-2-en-1-ylmorpholine

C11H19NO — CID 13474806

IUPAC4-cyclohept-2-en-1-ylmorpholine
SMILESC1=CC(N2CCOCC2)CCCC1
InChIInChI=1S/C11H19NO/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h3,5,11H,1-2,4,6-10H2
InChIKeyZMSDOJWNIQCBGO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds1

About 4-cyclohept-2-en-1-ylmorpholine

4-cyclohept-2-en-1-ylmorpholine (PubChem CID 13474806) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-cyclohept-2-en-1-ylmorpholine.

Molecular Properties

Compound Name4-cyclohept-2-en-1-ylmorpholine
PubChem CID13474806
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-cyclohept-2-en-1-ylmorpholine
SMILESC1=CC(N2CCOCC2)CCCC1
InChIInChI=1S/C11H19NO/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h3,5,11H,1-2,4,6-10H2
InChIKeyZMSDOJWNIQCBGO-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.82
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 4-cyclohept-2-en-1-ylmorpholine?
The IUPAC name of 4-cyclohept-2-en-1-ylmorpholine (CID 13474806) is 4-cyclohept-2-en-1-ylmorpholine.
What is the SMILES notation for 4-cyclohept-2-en-1-ylmorpholine?
The canonical SMILES for 4-cyclohept-2-en-1-ylmorpholine is C1=CC(N2CCOCC2)CCCC1.
What is the InChIKey of 4-cyclohept-2-en-1-ylmorpholine?
The InChIKey is ZMSDOJWNIQCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h3,5,11H,1-2,4,6-10H2.
What are the key properties of 4-cyclohept-2-en-1-ylmorpholine?
4-cyclohept-2-en-1-ylmorpholine has a molecular weight of 181.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohept-2-en-1-ylmorpholine is sourced from PubChem (CID 13474806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).