4-hexa-1,3-dien-2-ylmorpholine

C10H17NO — CID 123214454

IUPAC4-hexa-1,3-dien-2-ylmorpholine
SMILESC=C(C=CCC)N1CCOCC1
InChIInChI=1S/C10H17NO/c1-3-4-5-10(2)11-6-8-12-9-7-11/h4-5H,2-3,6-9H2,1H3
InChIKeyHQKBOOIMVUKCPE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds3

About 4-hexa-1,3-dien-2-ylmorpholine

4-hexa-1,3-dien-2-ylmorpholine (PubChem CID 123214454) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-hexa-1,3-dien-2-ylmorpholine.

Molecular Properties

Compound Name4-hexa-1,3-dien-2-ylmorpholine
PubChem CID123214454
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-hexa-1,3-dien-2-ylmorpholine
SMILESC=C(C=CCC)N1CCOCC1
InChIInChI=1S/C10H17NO/c1-3-4-5-10(2)11-6-8-12-9-7-11/h4-5H,2-3,6-9H2,1H3
InChIKeyHQKBOOIMVUKCPE-UHFFFAOYSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
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-hexa-1,3-dien-2-ylmorpholine?
The IUPAC name of 4-hexa-1,3-dien-2-ylmorpholine (CID 123214454) is 4-hexa-1,3-dien-2-ylmorpholine.
What is the SMILES notation for 4-hexa-1,3-dien-2-ylmorpholine?
The canonical SMILES for 4-hexa-1,3-dien-2-ylmorpholine is C=C(C=CCC)N1CCOCC1.
What is the InChIKey of 4-hexa-1,3-dien-2-ylmorpholine?
The InChIKey is HQKBOOIMVUKCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-10(2)11-6-8-12-9-7-11/h4-5H,2-3,6-9H2,1H3.
What are the key properties of 4-hexa-1,3-dien-2-ylmorpholine?
4-hexa-1,3-dien-2-ylmorpholine has a molecular weight of 167.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-1,3-dien-2-ylmorpholine is sourced from PubChem (CID 123214454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).