2-but-3-en-2-yl-5-tert-butylmorpholine

C12H23NO — CID 146231667

IUPAC2-but-3-en-2-yl-5-tert-butylmorpholine
SMILESC=CC(C)C1CNC(C(C)(C)C)CO1
InChIInChI=1S/C12H23NO/c1-6-9(2)10-7-13-11(8-14-10)12(3,4)5/h6,9-11,13H,1,7-8H2,2-5H3
InChIKeyAMLUUBUPYOKOKK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds2

About 2-but-3-en-2-yl-5-tert-butylmorpholine

2-but-3-en-2-yl-5-tert-butylmorpholine (PubChem CID 146231667) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-but-3-en-2-yl-5-tert-butylmorpholine.

Molecular Properties

Compound Name2-but-3-en-2-yl-5-tert-butylmorpholine
PubChem CID146231667
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-but-3-en-2-yl-5-tert-butylmorpholine
SMILESC=CC(C)C1CNC(C(C)(C)C)CO1
InChIInChI=1S/C12H23NO/c1-6-9(2)10-7-13-11(8-14-10)12(3,4)5/h6,9-11,13H,1,7-8H2,2-5H3
InChIKeyAMLUUBUPYOKOKK-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
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 2-but-3-en-2-yl-5-tert-butylmorpholine?
The IUPAC name of 2-but-3-en-2-yl-5-tert-butylmorpholine (CID 146231667) is 2-but-3-en-2-yl-5-tert-butylmorpholine.
What is the SMILES notation for 2-but-3-en-2-yl-5-tert-butylmorpholine?
The canonical SMILES for 2-but-3-en-2-yl-5-tert-butylmorpholine is C=CC(C)C1CNC(C(C)(C)C)CO1.
What is the InChIKey of 2-but-3-en-2-yl-5-tert-butylmorpholine?
The InChIKey is AMLUUBUPYOKOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-9(2)10-7-13-11(8-14-10)12(3,4)5/h6,9-11,13H,1,7-8H2,2-5H3.
What are the key properties of 2-but-3-en-2-yl-5-tert-butylmorpholine?
2-but-3-en-2-yl-5-tert-butylmorpholine has a molecular weight of 197.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-5-tert-butylmorpholine is sourced from PubChem (CID 146231667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).