4-[(3E)-penta-1,3-dien-3-yl]morpholine

C9H15NO — CID 22149528

IUPAC4-[(3E)-penta-1,3-dien-3-yl]morpholine
SMILESC=C/C(=C\C)N1CCOCC1
InChIInChI=1S/C9H15NO/c1-3-9(4-2)10-5-7-11-8-6-10/h3-4H,1,5-8H2,2H3/b9-4+
InChIKeyQEPNZVOENMCIFB-RUDMXATFSA-N
MW153.22 g/mol
LogP1.41
Rot. Bonds2

About 4-[(3E)-penta-1,3-dien-3-yl]morpholine

4-[(3E)-penta-1,3-dien-3-yl]morpholine (PubChem CID 22149528) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-[(3E)-penta-1,3-dien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3E)-penta-1,3-dien-3-yl]morpholine
PubChem CID22149528
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-[(3E)-penta-1,3-dien-3-yl]morpholine
SMILESC=C/C(=C\C)N1CCOCC1
InChIInChI=1S/C9H15NO/c1-3-9(4-2)10-5-7-11-8-6-10/h3-4H,1,5-8H2,2H3/b9-4+
InChIKeyQEPNZVOENMCIFB-RUDMXATFSA-N
XLogP1.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.41
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

1-Morpholino-1,3-butadiene
CID 5372462
4-[(E)-but-2-en-2-yl]morpholine
CID 12467373
4-(Buta-1,3-dien-1-yl)morpholine
CID 586981
4-[(E)-but-2-enyl]morpholine
CID 10909666
4-[(Z)-but-2-enyl]morpholine
CID 11768672
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-(But-2-en-2-yl)morpholine
CID 53949343
1-Morpholino-2-butene
CID 54273278
4-(Morpholin-1-yl)phenylmagnesium bromide, 0.25 M in THF
CID 85865892
4-(4-Fluoropenta-1,3-dien-3-yl)morpholine
CID 123587571
4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
CID 135170053
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine
CID 143431081

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-penta-1,3-dien-3-yl]morpholine?
The IUPAC name of 4-[(3E)-penta-1,3-dien-3-yl]morpholine (CID 22149528) is 4-[(3E)-penta-1,3-dien-3-yl]morpholine.
What is the SMILES notation for 4-[(3E)-penta-1,3-dien-3-yl]morpholine?
The canonical SMILES for 4-[(3E)-penta-1,3-dien-3-yl]morpholine is C=C/C(=C\C)N1CCOCC1.
What is the InChIKey of 4-[(3E)-penta-1,3-dien-3-yl]morpholine?
The InChIKey is QEPNZVOENMCIFB-RUDMXATFSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(4-2)10-5-7-11-8-6-10/h3-4H,1,5-8H2,2H3/b9-4+.
What are the key properties of 4-[(3E)-penta-1,3-dien-3-yl]morpholine?
4-[(3E)-penta-1,3-dien-3-yl]morpholine has a molecular weight of 153.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-penta-1,3-dien-3-yl]morpholine is sourced from PubChem (CID 22149528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).