4-hepta-2,4-dien-3-ylmorpholine

C11H19NO — CID 123272752

IUPAC4-hepta-2,4-dien-3-ylmorpholine
SMILESCC=C(C=CCC)N1CCOCC1
InChIInChI=1S/C11H19NO/c1-3-5-6-11(4-2)12-7-9-13-10-8-12/h4-6H,3,7-10H2,1-2H3
InChIKeyFJTOXPNBZPPFLQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds3

About 4-hepta-2,4-dien-3-ylmorpholine

4-hepta-2,4-dien-3-ylmorpholine (PubChem CID 123272752) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-hepta-2,4-dien-3-ylmorpholine.

Molecular Properties

Compound Name4-hepta-2,4-dien-3-ylmorpholine
PubChem CID123272752
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-hepta-2,4-dien-3-ylmorpholine
SMILESCC=C(C=CCC)N1CCOCC1
InChIInChI=1S/C11H19NO/c1-3-5-6-11(4-2)12-7-9-13-10-8-12/h4-6H,3,7-10H2,1-2H3
InChIKeyFJTOXPNBZPPFLQ-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
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-hepta-2,4-dien-3-ylmorpholine?
The IUPAC name of 4-hepta-2,4-dien-3-ylmorpholine (CID 123272752) is 4-hepta-2,4-dien-3-ylmorpholine.
What is the SMILES notation for 4-hepta-2,4-dien-3-ylmorpholine?
The canonical SMILES for 4-hepta-2,4-dien-3-ylmorpholine is CC=C(C=CCC)N1CCOCC1.
What is the InChIKey of 4-hepta-2,4-dien-3-ylmorpholine?
The InChIKey is FJTOXPNBZPPFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-6-11(4-2)12-7-9-13-10-8-12/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 4-hepta-2,4-dien-3-ylmorpholine?
4-hepta-2,4-dien-3-ylmorpholine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hepta-2,4-dien-3-ylmorpholine is sourced from PubChem (CID 123272752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).