2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine

C12H19NO — CID 153329605

IUPAC2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine
SMILESC=C/C=C(\C=C)CC1CN(C)CCO1
InChIInChI=1S/C12H19NO/c1-4-6-11(5-2)9-12-10-13(3)7-8-14-12/h4-6,12H,1-2,7-10H2,3H3/b11-6+
InChIKeySHIYNJVCWAXEAL-IZZDOVSWSA-N
MW193.29 g/mol
LogP2.01
Rot. Bonds4

About 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine

2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine (PubChem CID 153329605) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine
PubChem CID153329605
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine
SMILESC=C/C=C(\C=C)CC1CN(C)CCO1
InChIInChI=1S/C12H19NO/c1-4-6-11(5-2)9-12-10-13(3)7-8-14-12/h4-6,12H,1-2,7-10H2,3H3/b11-6+
InChIKeySHIYNJVCWAXEAL-IZZDOVSWSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine?
The IUPAC name of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine (CID 153329605) is 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine?
The canonical SMILES for 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine is C=C/C=C(\C=C)CC1CN(C)CCO1.
What is the InChIKey of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine?
The InChIKey is SHIYNJVCWAXEAL-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-6-11(5-2)9-12-10-13(3)7-8-14-12/h4-6,12H,1-2,7-10H2,3H3/b11-6+.
What are the key properties of 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine?
2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine 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 2-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methylmorpholine is sourced from PubChem (CID 153329605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).