4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine

C22H26N2O — CID 3046019

IUPAC4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine
SMILESc1ccc2c(c1)CCc1ccccc1C2N1CC(N2CCOCC2)C1
InChIInChI=1S/C22H26N2O/c1-3-7-20-17(5-1)9-10-18-6-2-4-8-21(18)22(20)24-15-19(16-24)23-11-13-25-14-12-23/h1-8,19,22H,9-16H2
InChIKeyAJVRWSUYZDFLPO-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.89
Rot. Bonds2

About 4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine

4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine (PubChem CID 3046019) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine
PubChem CID3046019
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine
SMILESc1ccc2c(c1)CCc1ccccc1C2N1CC(N2CCOCC2)C1
InChIInChI=1S/C22H26N2O/c1-3-7-20-17(5-1)9-10-18-6-2-4-8-21(18)22(20)24-15-19(16-24)23-11-13-25-14-12-23/h1-8,19,22H,9-16H2
InChIKeyAJVRWSUYZDFLPO-UHFFFAOYSA-N
XLogP2.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine?
The IUPAC name of 4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine (CID 3046019) is 4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine is c1ccc2c(c1)CCc1ccccc1C2N1CC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine?
The InChIKey is AJVRWSUYZDFLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-3-7-20-17(5-1)9-10-18-6-2-4-8-21(18)22(20)24-15-19(16-24)23-11-13-25-14-12-23/h1-8,19,22H,9-16H2.
What are the key properties of 4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine?
4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine has a molecular weight of 334.46 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine is sourced from PubChem (CID 3046019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).