4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine

C12H19NO — CID 143805483

IUPAC4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine
SMILESC=C/C=C(C)\C=C/CN1CCOCC1
InChIInChI=1S/C12H19NO/c1-3-5-12(2)6-4-7-13-8-10-14-11-9-13/h3-6H,1,7-11H2,2H3/b6-4-,12-5-
InChIKeySUOCKBKNJAZCAJ-MVKGNQKPSA-N
MW193.29 g/mol
LogP2.01
Rot. Bonds4

About 4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine

4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine (PubChem CID 143805483) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine.

Molecular Properties

Compound Name4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine
PubChem CID143805483
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine
SMILESC=C/C=C(C)\C=C/CN1CCOCC1
InChIInChI=1S/C12H19NO/c1-3-5-12(2)6-4-7-13-8-10-14-11-9-13/h3-6H,1,7-11H2,2H3/b6-4-,12-5-
InChIKeySUOCKBKNJAZCAJ-MVKGNQKPSA-N
XLogP2.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.01
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

(E)-4-morpholin-4-ylbut-2-enoic acid
CID 22466617
4-[(E)-but-2-enyl]morpholine
CID 10909666
4-[(E)-4,4-dimethylpent-2-enyl]morpholine
CID 21060370
4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
ethane;4-ethylmorpholine;(3Z)-4-methylsulfanylpenta-1,3-diene
CID 142324837
(E)-6-(4-cyclopropylpiperazin-1-yl)-2-methylhex-4-en-3-one;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one
CID 159904343
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
CID 177013069
4-(3-methylsulfanylprop-2-enyl)morpholine
CID 123758851
4-[(E)-4-bromobut-2-enyl]morpholine
CID 118035457
4-[(E)-4-iodobut-2-enyl]morpholine
CID 118533798

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine?
The IUPAC name of 4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine (CID 143805483) is 4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine.
What is the SMILES notation for 4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine?
The canonical SMILES for 4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine is C=C/C=C(C)\C=C/CN1CCOCC1.
What is the InChIKey of 4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine?
The InChIKey is SUOCKBKNJAZCAJ-MVKGNQKPSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-12(2)6-4-7-13-8-10-14-11-9-13/h3-6H,1,7-11H2,2H3/b6-4-,12-5-.
What are the key properties of 4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine?
4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine has a molecular weight of 193.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine is sourced from PubChem (CID 143805483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).