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

C10H17NO — CID 123162376

IUPAC2-hexa-1,4-dien-3-ylmorpholine
SMILESC=CC(C=CC)C1CNCCO1
InChIInChI=1S/C10H17NO/c1-3-5-9(4-2)10-8-11-6-7-12-10/h3-5,9-11H,2,6-8H2,1H3
InChIKeyQPNLOJRHZIWOCK-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.35
Rot. Bonds3

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

2-hexa-1,4-dien-3-ylmorpholine (PubChem CID 123162376) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-hexa-1,4-dien-3-ylmorpholine.

Molecular Properties

Compound Name2-hexa-1,4-dien-3-ylmorpholine
PubChem CID123162376
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-hexa-1,4-dien-3-ylmorpholine
SMILESC=CC(C=CC)C1CNCCO1
InChIInChI=1S/C10H17NO/c1-3-5-9(4-2)10-8-11-6-7-12-10/h3-5,9-11H,2,6-8H2,1H3
InChIKeyQPNLOJRHZIWOCK-UHFFFAOYSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213107
(2S,6R)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213127
2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine
CID 164919318
2,2-Bis(prop-2-enyl)morpholine
CID 21271343
2-Methyl-2-prop-2-enylmorpholine
CID 21429943
2-But-2-enylmorpholine
CID 54499385
2-Pent-4-en-2-ylmorpholine
CID 66612517
2,6-Bis(prop-2-enyl)morpholine
CID 67417805
(2S,6S)-2-methyl-6-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213104
(2S,5R)-5-methyl-2-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213111
(2S,6R)-2-cyclohexa-2,4-dien-1-yl-6-methylmorpholine
CID 68213112
(2R,6S)-2-methyl-6-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213114

Frequently Asked Questions

What is the IUPAC name of 2-hexa-1,4-dien-3-ylmorpholine?
The IUPAC name of 2-hexa-1,4-dien-3-ylmorpholine (CID 123162376) is 2-hexa-1,4-dien-3-ylmorpholine.
What is the SMILES notation for 2-hexa-1,4-dien-3-ylmorpholine?
The canonical SMILES for 2-hexa-1,4-dien-3-ylmorpholine is C=CC(C=CC)C1CNCCO1.
What is the InChIKey of 2-hexa-1,4-dien-3-ylmorpholine?
The InChIKey is QPNLOJRHZIWOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-9(4-2)10-8-11-6-7-12-10/h3-5,9-11H,2,6-8H2,1H3.
What are the key properties of 2-hexa-1,4-dien-3-ylmorpholine?
2-hexa-1,4-dien-3-ylmorpholine has a molecular weight of 167.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexa-1,4-dien-3-ylmorpholine is sourced from PubChem (CID 123162376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).