4-(2-bromo-4-methylidenecyclohexyl)morpholine

C11H18BrNO — CID 91366220

IUPAC4-(2-bromo-4-methylidenecyclohexyl)morpholine
SMILESC=C1CCC(N2CCOCC2)C(Br)C1
InChIInChI=1S/C11H18BrNO/c1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13/h10-11H,1-8H2
InChIKeyUEKDECYDUAUZIV-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.19
Rot. Bonds1

About 4-(2-bromo-4-methylidenecyclohexyl)morpholine

4-(2-bromo-4-methylidenecyclohexyl)morpholine (PubChem CID 91366220) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is 4-(2-bromo-4-methylidenecyclohexyl)morpholine.

Molecular Properties

Compound Name4-(2-bromo-4-methylidenecyclohexyl)morpholine
PubChem CID91366220
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name4-(2-bromo-4-methylidenecyclohexyl)morpholine
SMILESC=C1CCC(N2CCOCC2)C(Br)C1
InChIInChI=1S/C11H18BrNO/c1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13/h10-11H,1-8H2
InChIKeyUEKDECYDUAUZIV-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylidenecyclohexyl)morpholine?
The IUPAC name of 4-(2-bromo-4-methylidenecyclohexyl)morpholine (CID 91366220) is 4-(2-bromo-4-methylidenecyclohexyl)morpholine.
What is the SMILES notation for 4-(2-bromo-4-methylidenecyclohexyl)morpholine?
The canonical SMILES for 4-(2-bromo-4-methylidenecyclohexyl)morpholine is C=C1CCC(N2CCOCC2)C(Br)C1.
What is the InChIKey of 4-(2-bromo-4-methylidenecyclohexyl)morpholine?
The InChIKey is UEKDECYDUAUZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13/h10-11H,1-8H2.
What are the key properties of 4-(2-bromo-4-methylidenecyclohexyl)morpholine?
4-(2-bromo-4-methylidenecyclohexyl)morpholine has a molecular weight of 260.17 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylidenecyclohexyl)morpholine is sourced from PubChem (CID 91366220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).