(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine

C11H19NO — CID 129015398

IUPAC(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine
SMILESC/C=C\C(=C/C)[C@H]1CN[C@@H](C)CO1
InChIInChI=1S/C11H19NO/c1-4-6-10(5-2)11-7-12-9(3)8-13-11/h4-6,9,11-12H,7-8H2,1-3H3/b6-4-,10-5+/t9-,11+/m0/s1
InChIKeyFTWXPJMOUYMTTJ-OKWPAFFOSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds2

About (2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine

(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine (PubChem CID 129015398) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine.

Molecular Properties

Compound Name(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine
PubChem CID129015398
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine
SMILESC/C=C\C(=C/C)[C@H]1CN[C@@H](C)CO1
InChIInChI=1S/C11H19NO/c1-4-6-10(5-2)11-7-12-9(3)8-13-11/h4-6,9,11-12H,7-8H2,1-3H3/b6-4-,10-5+/t9-,11+/m0/s1
InChIKeyFTWXPJMOUYMTTJ-OKWPAFFOSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine?
The IUPAC name of (2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine (CID 129015398) is (2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine.
What is the SMILES notation for (2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine?
The canonical SMILES for (2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine is C/C=C\C(=C/C)[C@H]1CN[C@@H](C)CO1.
What is the InChIKey of (2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine?
The InChIKey is FTWXPJMOUYMTTJ-OKWPAFFOSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-6-10(5-2)11-7-12-9(3)8-13-11/h4-6,9,11-12H,7-8H2,1-3H3/b6-4-,10-5+/t9-,11+/m0/s1.
What are the key properties of (2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine?
(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine has a molecular weight of 181.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine is sourced from PubChem (CID 129015398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).