2-buta-1,3-dienylmorpholine

C8H13NO — CID 173350866

IUPAC2-buta-1,3-dienylmorpholine
SMILESC=CC=CC1CNCCO1
InChIInChI=1S/C8H13NO/c1-2-3-4-8-7-9-5-6-10-8/h2-4,8-9H,1,5-7H2
InChIKeyLFPZWCMFXIUBBU-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.72
Rot. Bonds2

About 2-buta-1,3-dienylmorpholine

2-buta-1,3-dienylmorpholine (PubChem CID 173350866) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-buta-1,3-dienylmorpholine.

Molecular Properties

Compound Name2-buta-1,3-dienylmorpholine
PubChem CID173350866
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-buta-1,3-dienylmorpholine
SMILESC=CC=CC1CNCCO1
InChIInChI=1S/C8H13NO/c1-2-3-4-8-7-9-5-6-10-8/h2-4,8-9H,1,5-7H2
InChIKeyLFPZWCMFXIUBBU-UHFFFAOYSA-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-buta-1,3-dienylmorpholine?
The IUPAC name of 2-buta-1,3-dienylmorpholine (CID 173350866) is 2-buta-1,3-dienylmorpholine.
What is the SMILES notation for 2-buta-1,3-dienylmorpholine?
The canonical SMILES for 2-buta-1,3-dienylmorpholine is C=CC=CC1CNCCO1.
What is the InChIKey of 2-buta-1,3-dienylmorpholine?
The InChIKey is LFPZWCMFXIUBBU-UHFFFAOYSA-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.
What are the key properties of 2-buta-1,3-dienylmorpholine?
2-buta-1,3-dienylmorpholine 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-buta-1,3-dienylmorpholine is sourced from PubChem (CID 173350866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).