4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine

C12H21NO — CID 88957780

IUPAC4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine
SMILESCC/C=C(C)\C=C\CN1CCOCC1
InChIInChI=1S/C12H21NO/c1-3-5-12(2)6-4-7-13-8-10-14-11-9-13/h4-6H,3,7-11H2,1-2H3/b6-4+,12-5-
InChIKeyIGSDGECXKAILCV-QEVYESBGSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds4

About 4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine

4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine (PubChem CID 88957780) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine.

Molecular Properties

Compound Name4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine
PubChem CID88957780
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine
SMILESCC/C=C(C)\C=C\CN1CCOCC1
InChIInChI=1S/C12H21NO/c1-3-5-12(2)6-4-7-13-8-10-14-11-9-13/h4-6H,3,7-11H2,1-2H3/b6-4+,12-5-
InChIKeyIGSDGECXKAILCV-QEVYESBGSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
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 4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine?
The IUPAC name of 4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine (CID 88957780) is 4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine.
What is the SMILES notation for 4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine?
The canonical SMILES for 4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine is CC/C=C(C)\C=C\CN1CCOCC1.
What is the InChIKey of 4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine?
The InChIKey is IGSDGECXKAILCV-QEVYESBGSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-12(2)6-4-7-13-8-10-14-11-9-13/h4-6H,3,7-11H2,1-2H3/b6-4+,12-5-.
What are the key properties of 4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine?
4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-4-methylhepta-2,4-dienyl]morpholine is sourced from PubChem (CID 88957780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).