4-penta-1,2,4-trien-3-ylmorpholine

C9H13NO — CID 144961397

IUPAC4-penta-1,2,4-trien-3-ylmorpholine
SMILESC=C=C(C=C)N1CCOCC1
InChIInChI=1S/C9H13NO/c1-3-9(4-2)10-5-7-11-8-6-10/h3H,1-2,5-8H2
InChIKeyGHFKXSKEVMBUOL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.17
Rot. Bonds2

About 4-penta-1,2,4-trien-3-ylmorpholine

4-penta-1,2,4-trien-3-ylmorpholine (PubChem CID 144961397) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-penta-1,2,4-trien-3-ylmorpholine.

Molecular Properties

Compound Name4-penta-1,2,4-trien-3-ylmorpholine
PubChem CID144961397
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-penta-1,2,4-trien-3-ylmorpholine
SMILESC=C=C(C=C)N1CCOCC1
InChIInChI=1S/C9H13NO/c1-3-9(4-2)10-5-7-11-8-6-10/h3H,1-2,5-8H2
InChIKeyGHFKXSKEVMBUOL-UHFFFAOYSA-N
XLogP1.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
CID 158662750
1-morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one
CID 123435891
CID 177489628
CID 177489628
4-prop-2-enylsulfanylmorpholine
CID 134892146
3,3-dimorpholin-4-ylprop-2-enenitrile
CID 121217955
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
4-[(3E)-4,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]morpholine
CID 166476539
(1E,3E)-N-[(methylideneamino)methyl]-4-morpholin-4-ylhexa-1,3,5-trien-1-amine
CID 171624644
(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 24899376
1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
CID 109011993
N-ethenyl-N-methylacetamide;1-morpholin-4-ylprop-2-en-1-one
CID 141284546

Frequently Asked Questions

What is the IUPAC name of 4-penta-1,2,4-trien-3-ylmorpholine?
The IUPAC name of 4-penta-1,2,4-trien-3-ylmorpholine (CID 144961397) is 4-penta-1,2,4-trien-3-ylmorpholine.
What is the SMILES notation for 4-penta-1,2,4-trien-3-ylmorpholine?
The canonical SMILES for 4-penta-1,2,4-trien-3-ylmorpholine is C=C=C(C=C)N1CCOCC1.
What is the InChIKey of 4-penta-1,2,4-trien-3-ylmorpholine?
The InChIKey is GHFKXSKEVMBUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-9(4-2)10-5-7-11-8-6-10/h3H,1-2,5-8H2.
What are the key properties of 4-penta-1,2,4-trien-3-ylmorpholine?
4-penta-1,2,4-trien-3-ylmorpholine has a molecular weight of 151.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-penta-1,2,4-trien-3-ylmorpholine is sourced from PubChem (CID 144961397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).