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

C22H25NO — CID 21792

IUPAC4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine
SMILESC(CCN1CCOCC1)=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H25NO/c1-3-8-20-18(6-1)11-12-19-7-2-4-9-21(19)22(20)10-5-13-23-14-16-24-17-15-23/h1-4,6-10H,5,11-17H2
InChIKeyZQALRUNJXMWBAX-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.94
Rot. Bonds3

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

4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine (PubChem CID 21792) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine
PubChem CID21792
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine
SMILESC(CCN1CCOCC1)=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H25NO/c1-3-8-20-18(6-1)11-12-19-7-2-4-9-21(19)22(20)10-5-13-23-14-16-24-17-15-23/h1-4,6-10H,5,11-17H2
InChIKeyZQALRUNJXMWBAX-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine
CID 168897
Morpholine, 4-(2-phenylethyl)-
CID 411956
4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 9976253
4-(2-{3-[1-Naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10546947
4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 44350470
4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950876
4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 118332421
4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 118332422
4-[2-[(3E)-3-[(2-fluorophenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 118332424

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine?
The IUPAC name of 4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine (CID 21792) is 4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine.
What is the SMILES notation for 4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine?
The canonical SMILES for 4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine is C(CCN1CCOCC1)=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of 4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine?
The InChIKey is ZQALRUNJXMWBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-3-8-20-18(6-1)11-12-19-7-2-4-9-21(19)22(20)10-5-13-23-14-16-24-17-15-23/h1-4,6-10H,5,11-17H2.
What are the key properties of 4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine?
4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine has a molecular weight of 319.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine is sourced from PubChem (CID 21792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).