2-[(1E)-buta-1,3-dienyl]morpholine

C8H13NO — CID 18958909

IUPAC2-[(1E)-buta-1,3-dienyl]morpholine
SMILESC=C/C=C/C1CNCCO1
InChIInChI=1S/C8H13NO/c1-2-3-4-8-7-9-5-6-10-8/h2-4,8-9H,1,5-7H2/b4-3+
InChIKeyLFPZWCMFXIUBBU-ONEGZZNKSA-N
MW139.20 g/mol
LogP0.72
Rot. Bonds2

About 2-[(1E)-buta-1,3-dienyl]morpholine

2-[(1E)-buta-1,3-dienyl]morpholine (PubChem CID 18958909) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(1E)-buta-1,3-dienyl]morpholine.

Molecular Properties

Compound Name2-[(1E)-buta-1,3-dienyl]morpholine
PubChem CID18958909
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[(1E)-buta-1,3-dienyl]morpholine
SMILESC=C/C=C/C1CNCCO1
InChIInChI=1S/C8H13NO/c1-2-3-4-8-7-9-5-6-10-8/h2-4,8-9H,1,5-7H2/b4-3+
InChIKeyLFPZWCMFXIUBBU-ONEGZZNKSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
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 2-[(1E)-buta-1,3-dienyl]morpholine?
The IUPAC name of 2-[(1E)-buta-1,3-dienyl]morpholine (CID 18958909) is 2-[(1E)-buta-1,3-dienyl]morpholine.
What is the SMILES notation for 2-[(1E)-buta-1,3-dienyl]morpholine?
The canonical SMILES for 2-[(1E)-buta-1,3-dienyl]morpholine is C=C/C=C/C1CNCCO1.
What is the InChIKey of 2-[(1E)-buta-1,3-dienyl]morpholine?
The InChIKey is LFPZWCMFXIUBBU-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-8-7-9-5-6-10-8/h2-4,8-9H,1,5-7H2/b4-3+.
What are the key properties of 2-[(1E)-buta-1,3-dienyl]morpholine?
2-[(1E)-buta-1,3-dienyl]morpholine has a molecular weight of 139.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-buta-1,3-dienyl]morpholine is sourced from PubChem (CID 18958909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).