4-(2,3-dimethylbut-3-en-2-yl)morpholine

C10H19NO — CID 145488126

IUPAC4-(2,3-dimethylbut-3-en-2-yl)morpholine
SMILESC=C(C)C(C)(C)N1CCOCC1
InChIInChI=1S/C10H19NO/c1-9(2)10(3,4)11-5-7-12-8-6-11/h1,5-8H2,2-4H3
InChIKeyOJUYGPYKZZSVTK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds2

About 4-(2,3-dimethylbut-3-en-2-yl)morpholine

4-(2,3-dimethylbut-3-en-2-yl)morpholine (PubChem CID 145488126) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(2,3-dimethylbut-3-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(2,3-dimethylbut-3-en-2-yl)morpholine
PubChem CID145488126
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(2,3-dimethylbut-3-en-2-yl)morpholine
SMILESC=C(C)C(C)(C)N1CCOCC1
InChIInChI=1S/C10H19NO/c1-9(2)10(3,4)11-5-7-12-8-6-11/h1,5-8H2,2-4H3
InChIKeyOJUYGPYKZZSVTK-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbut-3-en-2-yl)morpholine?
The IUPAC name of 4-(2,3-dimethylbut-3-en-2-yl)morpholine (CID 145488126) is 4-(2,3-dimethylbut-3-en-2-yl)morpholine.
What is the SMILES notation for 4-(2,3-dimethylbut-3-en-2-yl)morpholine?
The canonical SMILES for 4-(2,3-dimethylbut-3-en-2-yl)morpholine is C=C(C)C(C)(C)N1CCOCC1.
What is the InChIKey of 4-(2,3-dimethylbut-3-en-2-yl)morpholine?
The InChIKey is OJUYGPYKZZSVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)10(3,4)11-5-7-12-8-6-11/h1,5-8H2,2-4H3.
What are the key properties of 4-(2,3-dimethylbut-3-en-2-yl)morpholine?
4-(2,3-dimethylbut-3-en-2-yl)morpholine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbut-3-en-2-yl)morpholine is sourced from PubChem (CID 145488126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).