(2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine

C22H31NO2 — CID 143095938

IUPAC(2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine
SMILESC=C/C=C(\C=C/C=C\C)O[C@@H](C(/C=C\C)=C/C=C\C)[C@@H]1CNCCO1
InChIInChI=1S/C22H31NO2/c1-5-9-11-15-20(13-8-4)25-22(21-18-23-16-17-24-21)19(12-7-3)14-10-6-2/h5-15,21-23H,4,16-18H2,1-3H3/b9-5-,10-6-,12-7-,15-11-,19-14+,20-13+/t21-,22-/m0/s1
InChIKeyRBQODVWQSOVIFI-DGIWYJISSA-N
MW341.50 g/mol
LogP4.64
Rot. Bonds9

About (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine

(2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine (PubChem CID 143095938) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine
PubChem CID143095938
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name(2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine
SMILESC=C/C=C(\C=C/C=C\C)O[C@@H](C(/C=C\C)=C/C=C\C)[C@@H]1CNCCO1
InChIInChI=1S/C22H31NO2/c1-5-9-11-15-20(13-8-4)25-22(21-18-23-16-17-24-21)19(12-7-3)14-10-6-2/h5-15,21-23H,4,16-18H2,1-3H3/b9-5-,10-6-,12-7-,15-11-,19-14+,20-13+/t21-,22-/m0/s1
InChIKeyRBQODVWQSOVIFI-DGIWYJISSA-N
XLogP4.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine with MolForge

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Related Compounds

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(2S,5R)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213133
(2S,5S)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213203
2-Hexa-1,3,5-trien-3-yl-6-methylmorpholine
CID 123662227
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CID 129016184
2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine
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[1-[2-(2,3,5,6-Tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine
CID 140641209
2-[[(Z,1E)-1-(2-methylidenecyclopentylidene)but-2-enoxy]methyl]morpholine
CID 141814244
3-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]oxypiperidine
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2-(3,8-Dihydroazulen-4-yloxymethyl)morpholine
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine?
The IUPAC name of (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine (CID 143095938) is (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine.
What is the SMILES notation for (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine?
The canonical SMILES for (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine is C=C/C=C(\C=C/C=C\C)O[C@@H](C(/C=C\C)=C/C=C\C)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine?
The InChIKey is RBQODVWQSOVIFI-DGIWYJISSA-N. The full InChI is InChI=1S/C22H31NO2/c1-5-9-11-15-20(13-8-4)25-22(21-18-23-16-17-24-21)19(12-7-3)14-10-6-2/h5-15,21-23H,4,16-18H2,1-3H3/b9-5-,10-6-,12-7-,15-11-,19-14+,20-13+/t21-,22-/m0/s1.
What are the key properties of (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine?
(2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine has a molecular weight of 341.50 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine is sourced from PubChem (CID 143095938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).