2-hept-2-enylmorpholine

C11H21NO — CID 68588235

IUPAC2-hept-2-enylmorpholine
SMILESCCCCC=CCC1CNCCO1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyGISJPUVJLPXWTJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds5

About 2-hept-2-enylmorpholine

2-hept-2-enylmorpholine (PubChem CID 68588235) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-hept-2-enylmorpholine.

Molecular Properties

Compound Name2-hept-2-enylmorpholine
PubChem CID68588235
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-hept-2-enylmorpholine
SMILESCCCCC=CCC1CNCCO1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyGISJPUVJLPXWTJ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
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 2-hept-2-enylmorpholine?
The IUPAC name of 2-hept-2-enylmorpholine (CID 68588235) is 2-hept-2-enylmorpholine.
What is the SMILES notation for 2-hept-2-enylmorpholine?
The canonical SMILES for 2-hept-2-enylmorpholine is CCCCC=CCC1CNCCO1.
What is the InChIKey of 2-hept-2-enylmorpholine?
The InChIKey is GISJPUVJLPXWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of 2-hept-2-enylmorpholine?
2-hept-2-enylmorpholine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-2-enylmorpholine is sourced from PubChem (CID 68588235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).