4-[(1E)-3-methylbuta-1,3-dienyl]morpholine

C9H15NO — CID 5372438

IUPAC4-[(1E)-3-methylbuta-1,3-dienyl]morpholine
SMILESC=C(C)/C=C/N1CCOCC1
InChIInChI=1S/C9H15NO/c1-9(2)3-4-10-5-7-11-8-6-10/h3-4H,1,5-8H2,2H3/b4-3+
InChIKeyYHOKYNBXLJAEAH-ONEGZZNKSA-N
MW153.22 g/mol
LogP1.41
Rot. Bonds2

About 4-[(1E)-3-methylbuta-1,3-dienyl]morpholine

4-[(1E)-3-methylbuta-1,3-dienyl]morpholine (PubChem CID 5372438) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-[(1E)-3-methylbuta-1,3-dienyl]morpholine.

Molecular Properties

Compound Name4-[(1E)-3-methylbuta-1,3-dienyl]morpholine
PubChem CID5372438
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-[(1E)-3-methylbuta-1,3-dienyl]morpholine
SMILESC=C(C)/C=C/N1CCOCC1
InChIInChI=1S/C9H15NO/c1-9(2)3-4-10-5-7-11-8-6-10/h3-4H,1,5-8H2,2H3/b4-3+
InChIKeyYHOKYNBXLJAEAH-ONEGZZNKSA-N
XLogP1.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.41
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-[(1E)-3-methylbuta-1,3-dienyl]morpholine?
The IUPAC name of 4-[(1E)-3-methylbuta-1,3-dienyl]morpholine (CID 5372438) is 4-[(1E)-3-methylbuta-1,3-dienyl]morpholine.
What is the SMILES notation for 4-[(1E)-3-methylbuta-1,3-dienyl]morpholine?
The canonical SMILES for 4-[(1E)-3-methylbuta-1,3-dienyl]morpholine is C=C(C)/C=C/N1CCOCC1.
What is the InChIKey of 4-[(1E)-3-methylbuta-1,3-dienyl]morpholine?
The InChIKey is YHOKYNBXLJAEAH-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2)3-4-10-5-7-11-8-6-10/h3-4H,1,5-8H2,2H3/b4-3+.
What are the key properties of 4-[(1E)-3-methylbuta-1,3-dienyl]morpholine?
4-[(1E)-3-methylbuta-1,3-dienyl]morpholine has a molecular weight of 153.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-3-methylbuta-1,3-dienyl]morpholine is sourced from PubChem (CID 5372438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).