4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine

C12H19NO — CID 168999190

IUPAC4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine
SMILESC=C/C=C\C(=C)CC1CN(C)CCO1
InChIInChI=1S/C12H19NO/c1-4-5-6-11(2)9-12-10-13(3)7-8-14-12/h4-6,12H,1-2,7-10H2,3H3/b6-5-
InChIKeyRBAOVLUUZFRHFG-WAYWQWQTSA-N
MW193.29 g/mol
LogP2.01
Rot. Bonds4

About 4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine

4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine (PubChem CID 168999190) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine.

Molecular Properties

Compound Name4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine
PubChem CID168999190
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine
SMILESC=C/C=C\C(=C)CC1CN(C)CCO1
InChIInChI=1S/C12H19NO/c1-4-5-6-11(2)9-12-10-13(3)7-8-14-12/h4-6,12H,1-2,7-10H2,3H3/b6-5-
InChIKeyRBAOVLUUZFRHFG-WAYWQWQTSA-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 4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine?
The IUPAC name of 4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine (CID 168999190) is 4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine.
What is the SMILES notation for 4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine?
The canonical SMILES for 4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine is C=C/C=C\C(=C)CC1CN(C)CCO1.
What is the InChIKey of 4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine?
The InChIKey is RBAOVLUUZFRHFG-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-6-11(2)9-12-10-13(3)7-8-14-12/h4-6,12H,1-2,7-10H2,3H3/b6-5-.
What are the key properties of 4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine?
4-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]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-methyl-2-[(3Z)-2-methylidenehexa-3,5-dienyl]morpholine is sourced from PubChem (CID 168999190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).