4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine

C21H23NO — CID 13069107

IUPAC4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine
SMILESc1ccc2c(c1)C1CC2(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C21H23NO/c1-3-7-19-16(5-1)18-15-21(19,20-8-4-2-6-17(18)20)9-10-22-11-13-23-14-12-22/h1-8,18H,9-15H2
InChIKeyVRIRIWSODYLZLW-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.54
Rot. Bonds3

About 4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine

4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine (PubChem CID 13069107) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine
PubChem CID13069107
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine
SMILESc1ccc2c(c1)C1CC2(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C21H23NO/c1-3-7-19-16(5-1)18-15-21(19,20-8-4-2-6-17(18)20)9-10-22-11-13-23-14-12-22/h1-8,18H,9-15H2
InChIKeyVRIRIWSODYLZLW-UHFFFAOYSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine?
The IUPAC name of 4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine (CID 13069107) is 4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine is c1ccc2c(c1)C1CC2(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine?
The InChIKey is VRIRIWSODYLZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-7-19-16(5-1)18-15-21(19,20-8-4-2-6-17(18)20)9-10-22-11-13-23-14-12-22/h1-8,18H,9-15H2.
What are the key properties of 4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine?
4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine has a molecular weight of 305.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine is sourced from PubChem (CID 13069107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).