4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine

C12H21NO2 — CID 138716471

IUPAC4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine
SMILESC=C(/C=C\C)OCCCN1CCOCC1
InChIInChI=1S/C12H21NO2/c1-3-5-12(2)15-9-4-6-13-7-10-14-11-8-13/h3,5H,2,4,6-11H2,1H3/b5-3-
InChIKeyHBCIMQSSSFCRJX-HYXAFXHYSA-N
MW211.30 g/mol
LogP1.82
Rot. Bonds6

About 4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine

4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine (PubChem CID 138716471) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine
PubChem CID138716471
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine
SMILESC=C(/C=C\C)OCCCN1CCOCC1
InChIInChI=1S/C12H21NO2/c1-3-5-12(2)15-9-4-6-13-7-10-14-11-8-13/h3,5H,2,4,6-11H2,1H3/b5-3-
InChIKeyHBCIMQSSSFCRJX-HYXAFXHYSA-N
XLogP1.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(2-(Diethylamino)ethoxy)phenylmagnesium bromide
CID 13600839
4-(2-Prop-2-enoxypropyl)morpholine
CID 21387896
2-Allyloxymethyl-4-n-propylmorpholine
CID 21430412
Magnesium bromide 4-[2-(diethylamino)ethoxy]benzen-1-ide (1/1/1)
CID 73185304
4-[(1E,3Z)-3-ethoxypenta-1,3-dienyl]morpholine
CID 88860280
4-(2-Penta-2,4-dien-2-yloxyethyl)morpholine
CID 91541811
4-(2-Buta-1,3-dien-2-yloxyethyl)morpholine
CID 91550852
4-[3-(4-Methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine
CID 123223918
3-Methoxy-1-(2-penta-1,3-dien-2-yloxyethyl)pyrrolidine
CID 123442963
2-hexa-1,3,5-trien-2-yloxy-N,N-dimethylethanamine
CID 123967594
4-(5-methylidene-2H-furan-2-yl)morpholine
CID 123967695
1-(2-methoxyethyl)-4-methyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxypiperidine
CID 134576685

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine (CID 138716471) is 4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine is C=C(/C=C\C)OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine?
The InChIKey is HBCIMQSSSFCRJX-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-5-12(2)15-9-4-6-13-7-10-14-11-8-13/h3,5H,2,4,6-11H2,1H3/b5-3-.
What are the key properties of 4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine?
4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine has a molecular weight of 211.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine is sourced from PubChem (CID 138716471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).