4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine

C11H19NO2 — CID 10932405

IUPAC4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine
SMILESC=C(/C(C)=C/COC)N1CCOCC1
InChIInChI=1S/C11H19NO2/c1-10(4-7-13-3)11(2)12-5-8-14-9-6-12/h4H,2,5-9H2,1,3H3/b10-4+
InChIKeyJEAGRAPEQZZXOP-ONNFQVAWSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds4

About 4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine

4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine (PubChem CID 10932405) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine.

Molecular Properties

Compound Name4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine
PubChem CID10932405
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine
SMILESC=C(/C(C)=C/COC)N1CCOCC1
InChIInChI=1S/C11H19NO2/c1-10(4-7-13-3)11(2)12-5-8-14-9-6-12/h4H,2,5-9H2,1,3H3/b10-4+
InChIKeyJEAGRAPEQZZXOP-ONNFQVAWSA-N
XLogP1.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3Z)-3-methylpenta-1,3-dien-2-yl]morpholine
CID 134830691
4-(5-Methylhexa-2,4-dien-3-yl)morpholine
CID 90845057
4-(5-Methoxyhexa-3,5-dien-3-yl)morpholine
CID 123740206
4-(3-Methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine
CID 123820756
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]morpholine
CID 130216597
4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine
CID 142097271
4-[(3E,5Z)-6-methylocta-3,5-dien-3-yl]morpholine
CID 142264474
4-[(3E)-4-methylhexa-1,3,5-trien-2-yl]morpholine
CID 142339029
4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
CID 142474861
4-(7-Methylcyclohepta-1,4,6-trien-1-yl)morpholine
CID 142904528
4-[(2-Methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine
CID 143482938

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine?
The IUPAC name of 4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine (CID 10932405) is 4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine.
What is the SMILES notation for 4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine?
The canonical SMILES for 4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine is C=C(/C(C)=C/COC)N1CCOCC1.
What is the InChIKey of 4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine?
The InChIKey is JEAGRAPEQZZXOP-ONNFQVAWSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(4-7-13-3)11(2)12-5-8-14-9-6-12/h4H,2,5-9H2,1,3H3/b10-4+.
What are the key properties of 4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine?
4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine has a molecular weight of 197.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine is sourced from PubChem (CID 10932405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).