2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine

C13H19NO — CID 91399277

IUPAC2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine
SMILESCCN1CCOC(C2=CC3CC3C=C2)C1
InChIInChI=1S/C13H19NO/c1-2-14-5-6-15-13(9-14)11-4-3-10-7-12(10)8-11/h3-4,8,10,12-13H,2,5-7,9H2,1H3
InChIKeyKSJGGSOWKCJRDT-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.84
Rot. Bonds2

About 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine

2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine (PubChem CID 91399277) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine.

Molecular Properties

Compound Name2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine
PubChem CID91399277
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine
SMILESCCN1CCOC(C2=CC3CC3C=C2)C1
InChIInChI=1S/C13H19NO/c1-2-14-5-6-15-13(9-14)11-4-3-10-7-12(10)8-11/h3-4,8,10,12-13H,2,5-7,9H2,1H3
InChIKeyKSJGGSOWKCJRDT-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine?
The IUPAC name of 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine (CID 91399277) is 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine.
What is the SMILES notation for 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine?
The canonical SMILES for 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine is CCN1CCOC(C2=CC3CC3C=C2)C1.
What is the InChIKey of 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine?
The InChIKey is KSJGGSOWKCJRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-14-5-6-15-13(9-14)11-4-3-10-7-12(10)8-11/h3-4,8,10,12-13H,2,5-7,9H2,1H3.
What are the key properties of 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine?
2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine has a molecular weight of 205.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylmorpholine is sourced from PubChem (CID 91399277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).