4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine

C15H23NO — CID 142260584

IUPAC4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine
SMILESCC(C)(C)C1=CC2CC2(N2CCOCC2)C=C1
InChIInChI=1S/C15H23NO/c1-14(2,3)12-4-5-15(11-13(15)10-12)16-6-8-17-9-7-16/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyTYMXDETXLNNAKU-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.62
Rot. Bonds1

About 4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine

4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine (PubChem CID 142260584) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine.

Molecular Properties

Compound Name4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine
PubChem CID142260584
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine
SMILESCC(C)(C)C1=CC2CC2(N2CCOCC2)C=C1
InChIInChI=1S/C15H23NO/c1-14(2,3)12-4-5-15(11-13(15)10-12)16-6-8-17-9-7-16/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyTYMXDETXLNNAKU-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine?
The IUPAC name of 4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine (CID 142260584) is 4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine.
What is the SMILES notation for 4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine?
The canonical SMILES for 4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine is CC(C)(C)C1=CC2CC2(N2CCOCC2)C=C1.
What is the InChIKey of 4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine?
The InChIKey is TYMXDETXLNNAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)12-4-5-15(11-13(15)10-12)16-6-8-17-9-7-16/h4-5,10,13H,6-9,11H2,1-3H3.
What are the key properties of 4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine?
4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine has a molecular weight of 233.35 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine is sourced from PubChem (CID 142260584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).