2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine

C15H27ClN2O2 — CID 18547161

IUPAC2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine
SMILESCC(C)=C(CN1CCOC(Cl)C1)C(C)N1CCOCC1
InChIInChI=1S/C15H27ClN2O2/c1-12(2)14(10-17-4-9-20-15(16)11-17)13(3)18-5-7-19-8-6-18/h13,15H,4-11H2,1-3H3
InChIKeySSTRCVDOFWHPJD-UHFFFAOYSA-N
MW302.85 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine

2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine (PubChem CID 18547161) has the molecular formula C15H27ClN2O2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine.

Molecular Properties

Compound Name2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine
PubChem CID18547161
Molecular FormulaC15H27ClN2O2
Molecular Weight302.85 g/mol
Exact Mass302.18
IUPAC Name2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine
SMILESCC(C)=C(CN1CCOC(Cl)C1)C(C)N1CCOCC1
InChIInChI=1S/C15H27ClN2O2/c1-12(2)14(10-17-4-9-20-15(16)11-17)13(3)18-5-7-19-8-6-18/h13,15H,4-11H2,1-3H3
InChIKeySSTRCVDOFWHPJD-UHFFFAOYSA-N
XLogP1.94
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine?
The IUPAC name of 2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine (CID 18547161) is 2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine.
What is the SMILES notation for 2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine?
The canonical SMILES for 2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine is CC(C)=C(CN1CCOC(Cl)C1)C(C)N1CCOCC1.
What is the InChIKey of 2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine?
The InChIKey is SSTRCVDOFWHPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2O2/c1-12(2)14(10-17-4-9-20-15(16)11-17)13(3)18-5-7-19-8-6-18/h13,15H,4-11H2,1-3H3.
What are the key properties of 2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine?
2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine has a molecular weight of 302.85 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-methyl-2-(1-morpholin-4-ylethyl)but-2-enyl]morpholine is sourced from PubChem (CID 18547161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).