bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine

C13H19NO — CID 174270382

IUPACbicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine
SMILESC1=CC2=CC=C1C2.CCN1CCOCC1
InChIInChI=1S/C7H6.C6H13NO/c1-2-7-4-3-6(1)5-7;1-2-7-3-5-8-6-4-7/h1-4H,5H2;2-6H2,1H3
InChIKeyYZSKPWBNSWVFGN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.15
Rot. Bonds1

About bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine

bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine (PubChem CID 174270382) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine
PubChem CID174270382
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Namebicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine
SMILESC1=CC2=CC=C1C2.CCN1CCOCC1
InChIInChI=1S/C7H6.C6H13NO/c1-2-7-4-3-6(1)5-7;1-2-7-3-5-8-6-4-7/h1-4H,5H2;2-6H2,1H3
InChIKeyYZSKPWBNSWVFGN-UHFFFAOYSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine?
The IUPAC name of bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine (CID 174270382) is bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine.
What is the SMILES notation for bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine?
The canonical SMILES for bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine is C1=CC2=CC=C1C2.CCN1CCOCC1.
What is the InChIKey of bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine?
The InChIKey is YZSKPWBNSWVFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.C6H13NO/c1-2-7-4-3-6(1)5-7;1-2-7-3-5-8-6-4-7/h1-4H,5H2;2-6H2,1H3.
What are the key properties of bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine?
bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine has a molecular weight of 205.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine is sourced from PubChem (CID 174270382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).