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

C13H19NO — CID 142260520

IUPAC4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine
SMILESCCC1=CC2CC2(N2CCOCC2)C=C1
InChIInChI=1S/C13H19NO/c1-2-11-3-4-13(10-12(13)9-11)14-5-7-15-8-6-14/h3-4,9,12H,2,5-8,10H2,1H3
InChIKeyWMSZRKFSNGTFAM-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.98
Rot. Bonds2

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

4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine (PubChem CID 142260520) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine.

Molecular Properties

Compound Name4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine
PubChem CID142260520
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine
SMILESCCC1=CC2CC2(N2CCOCC2)C=C1
InChIInChI=1S/C13H19NO/c1-2-11-3-4-13(10-12(13)9-11)14-5-7-15-8-6-14/h3-4,9,12H,2,5-8,10H2,1H3
InChIKeyWMSZRKFSNGTFAM-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine?
The IUPAC name of 4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine (CID 142260520) is 4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine.
What is the SMILES notation for 4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine?
The canonical SMILES for 4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine is CCC1=CC2CC2(N2CCOCC2)C=C1.
What is the InChIKey of 4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine?
The InChIKey is WMSZRKFSNGTFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-11-3-4-13(10-12(13)9-11)14-5-7-15-8-6-14/h3-4,9,12H,2,5-8,10H2,1H3.
What are the key properties of 4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine?
4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine has a molecular weight of 205.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine is sourced from PubChem (CID 142260520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).