4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine

C26H25NO — CID 10546947

IUPAC4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C\c1cccc2ccccc12
InChIInChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18-
InChIKeyRTRAPBQOJODDGH-NKFKGCMQSA-N
MW367.49 g/mol
LogP5.50
Rot. Bonds4

About 4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine

4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine (PubChem CID 10546947) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine
PubChem CID10546947
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C\c1cccc2ccccc12
InChIInChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18-
InChIKeyRTRAPBQOJODDGH-NKFKGCMQSA-N
XLogP5.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-Diphenylethyl)morpholine
CID 240345
4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950702
PrNMI
CID 72950872
4-(2-Naphthylmethyl)morpholine
CID 783185
4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 9976253
4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10619854
4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10667559
4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 44350470
4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72948233
4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72950873
4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72950874
4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950876

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine (CID 10546947) is 4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine is C1=C(CCN2CCOCC2)c2ccccc2/C1=C\c1cccc2ccccc12.
What is the InChIKey of 4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine?
The InChIKey is RTRAPBQOJODDGH-NKFKGCMQSA-N. The full InChI is InChI=1S/C26H25NO/c1-2-9-24-20(6-1)7-5-8-21(24)18-23-19-22(25-10-3-4-11-26(23)25)12-13-27-14-16-28-17-15-27/h1-11,18-19H,12-17H2/b23-18-.
What are the key properties of 4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine?
4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine has a molecular weight of 367.49 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3Z)-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 10546947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).