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

C10H17NO — CID 155244304

IUPAC(3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine
SMILESC/C=C\C(=C/C)[C@H]1COCCN1
InChIInChI=1S/C10H17NO/c1-3-5-9(4-2)10-8-12-7-6-11-10/h3-5,10-11H,6-8H2,1-2H3/b5-3-,9-4+/t10-/m1/s1
InChIKeyDHLMZQMCNKZFML-DIVIDFTJSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds2

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

(3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine (PubChem CID 155244304) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine.

Molecular Properties

Compound Name(3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine
PubChem CID155244304
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine
SMILESC/C=C\C(=C/C)[C@H]1COCCN1
InChIInChI=1S/C10H17NO/c1-3-5-9(4-2)10-8-12-7-6-11-10/h3-5,10-11H,6-8H2,1-2H3/b5-3-,9-4+/t10-/m1/s1
InChIKeyDHLMZQMCNKZFML-DIVIDFTJSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
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 (3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine?
The IUPAC name of (3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine (CID 155244304) is (3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine.
What is the SMILES notation for (3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine?
The canonical SMILES for (3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine is C/C=C\C(=C/C)[C@H]1COCCN1.
What is the InChIKey of (3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine?
The InChIKey is DHLMZQMCNKZFML-DIVIDFTJSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-9(4-2)10-8-12-7-6-11-10/h3-5,10-11H,6-8H2,1-2H3/b5-3-,9-4+/t10-/m1/s1.
What are the key properties of (3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine?
(3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine has a molecular weight of 167.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine is sourced from PubChem (CID 155244304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).