4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine

C13H23NO — CID 123229247

IUPAC4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine
SMILESC=C(C(=CC)N1CCOCC1)C(C)CC
InChIInChI=1S/C13H23NO/c1-5-11(3)12(4)13(6-2)14-7-9-15-10-8-14/h6,11H,4-5,7-10H2,1-3H3
InChIKeyIHZIHEXHFZNCGT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.82
Rot. Bonds4

About 4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine

4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine (PubChem CID 123229247) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine
PubChem CID123229247
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine
SMILESC=C(C(=CC)N1CCOCC1)C(C)CC
InChIInChI=1S/C13H23NO/c1-5-11(3)12(4)13(6-2)14-7-9-15-10-8-14/h6,11H,4-5,7-10H2,1-3H3
InChIKeyIHZIHEXHFZNCGT-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine?
The IUPAC name of 4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine (CID 123229247) is 4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine.
What is the SMILES notation for 4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine?
The canonical SMILES for 4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine is C=C(C(=CC)N1CCOCC1)C(C)CC.
What is the InChIKey of 4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine?
The InChIKey is IHZIHEXHFZNCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-11(3)12(4)13(6-2)14-7-9-15-10-8-14/h6,11H,4-5,7-10H2,1-3H3.
What are the key properties of 4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine?
4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine has a molecular weight of 209.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-methylidenehept-2-en-3-yl)morpholine is sourced from PubChem (CID 123229247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).