4-[(E)-hept-1-enyl]morpholine

C11H21NO — CID 15619040

IUPAC4-[(E)-hept-1-enyl]morpholine
SMILESCCCCC/C=C/N1CCOCC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-7-12-8-10-13-11-9-12/h6-7H,2-5,8-11H2,1H3/b7-6+
InChIKeyIEEKXPPTWPKEBK-VOTSOKGWSA-N
MW183.29 g/mol
LogP2.41
Rot. Bonds5

About 4-[(E)-hept-1-enyl]morpholine

4-[(E)-hept-1-enyl]morpholine (PubChem CID 15619040) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-[(E)-hept-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-hept-1-enyl]morpholine
PubChem CID15619040
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-[(E)-hept-1-enyl]morpholine
SMILESCCCCC/C=C/N1CCOCC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-6-7-12-8-10-13-11-9-12/h6-7H,2-5,8-11H2,1H3/b7-6+
InChIKeyIEEKXPPTWPKEBK-VOTSOKGWSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hept-1-enyl]morpholine?
The IUPAC name of 4-[(E)-hept-1-enyl]morpholine (CID 15619040) is 4-[(E)-hept-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-hept-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-hept-1-enyl]morpholine is CCCCC/C=C/N1CCOCC1.
What is the InChIKey of 4-[(E)-hept-1-enyl]morpholine?
The InChIKey is IEEKXPPTWPKEBK-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-6-7-12-8-10-13-11-9-12/h6-7H,2-5,8-11H2,1H3/b7-6+.
What are the key properties of 4-[(E)-hept-1-enyl]morpholine?
4-[(E)-hept-1-enyl]morpholine has a molecular weight of 183.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hept-1-enyl]morpholine is sourced from PubChem (CID 15619040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).