4-[(Z)-3-ethylhept-2-enyl]morpholine

C13H25NO — CID 170458408

IUPAC4-[(Z)-3-ethylhept-2-enyl]morpholine
SMILESCCCC/C(=C\CN1CCOCC1)CC
InChIInChI=1S/C13H25NO/c1-3-5-6-13(4-2)7-8-14-9-11-15-12-10-14/h7H,3-6,8-12H2,1-2H3/b13-7-
InChIKeyHYJDDWIOVJHUEA-QPEQYQDCSA-N
MW211.35 g/mol
LogP2.85
Rot. Bonds6

About 4-[(Z)-3-ethylhept-2-enyl]morpholine

4-[(Z)-3-ethylhept-2-enyl]morpholine (PubChem CID 170458408) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[(Z)-3-ethylhept-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(Z)-3-ethylhept-2-enyl]morpholine
PubChem CID170458408
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[(Z)-3-ethylhept-2-enyl]morpholine
SMILESCCCC/C(=C\CN1CCOCC1)CC
InChIInChI=1S/C13H25NO/c1-3-5-6-13(4-2)7-8-14-9-11-15-12-10-14/h7H,3-6,8-12H2,1-2H3/b13-7-
InChIKeyHYJDDWIOVJHUEA-QPEQYQDCSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.85
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-[(Z)-3-ethylhept-2-enyl]morpholine?
The IUPAC name of 4-[(Z)-3-ethylhept-2-enyl]morpholine (CID 170458408) is 4-[(Z)-3-ethylhept-2-enyl]morpholine.
What is the SMILES notation for 4-[(Z)-3-ethylhept-2-enyl]morpholine?
The canonical SMILES for 4-[(Z)-3-ethylhept-2-enyl]morpholine is CCCC/C(=C\CN1CCOCC1)CC.
What is the InChIKey of 4-[(Z)-3-ethylhept-2-enyl]morpholine?
The InChIKey is HYJDDWIOVJHUEA-QPEQYQDCSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-6-13(4-2)7-8-14-9-11-15-12-10-14/h7H,3-6,8-12H2,1-2H3/b13-7-.
What are the key properties of 4-[(Z)-3-ethylhept-2-enyl]morpholine?
4-[(Z)-3-ethylhept-2-enyl]morpholine has a molecular weight of 211.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-ethylhept-2-enyl]morpholine is sourced from PubChem (CID 170458408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).