4-hept-2-enylmorpholine

C11H21NO — CID 68588041

IUPAC4-hept-2-enylmorpholine
SMILESCCCCC=CCN1CCOCC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-7-12-8-10-13-11-9-12/h5-6H,2-4,7-11H2,1H3
InChIKeyNXJFRWLHNMULHT-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.07
Rot. Bonds5

About 4-hept-2-enylmorpholine

4-hept-2-enylmorpholine (PubChem CID 68588041) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-hept-2-enylmorpholine.

Molecular Properties

Compound Name4-hept-2-enylmorpholine
PubChem CID68588041
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-hept-2-enylmorpholine
SMILESCCCCC=CCN1CCOCC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-7-12-8-10-13-11-9-12/h5-6H,2-4,7-11H2,1H3
InChIKeyNXJFRWLHNMULHT-UHFFFAOYSA-N
XLogP2.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hept-2-enylmorpholine?
The IUPAC name of 4-hept-2-enylmorpholine (CID 68588041) is 4-hept-2-enylmorpholine.
What is the SMILES notation for 4-hept-2-enylmorpholine?
The canonical SMILES for 4-hept-2-enylmorpholine is CCCCC=CCN1CCOCC1.
What is the InChIKey of 4-hept-2-enylmorpholine?
The InChIKey is NXJFRWLHNMULHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-6-7-12-8-10-13-11-9-12/h5-6H,2-4,7-11H2,1H3.
What are the key properties of 4-hept-2-enylmorpholine?
4-hept-2-enylmorpholine has a molecular weight of 183.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-2-enylmorpholine is sourced from PubChem (CID 68588041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).