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

C26H25NO — CID 72948233

IUPAC4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccc2ccccc2c1
InChIInChI=1S/C26H25NO/c1-2-6-22-17-20(9-10-21(22)5-1)18-24-19-23(25-7-3-4-8-26(24)25)11-12-27-13-15-28-16-14-27/h1-10,17-19H,11-16H2/b24-18+
InChIKeyMFOCWHQSENVFHX-HKOYGPOVSA-N
MW367.49 g/mol
LogP5.50
Rot. Bonds4

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

4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine (PubChem CID 72948233) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
PubChem CID72948233
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccc2ccccc2c1
InChIInChI=1S/C26H25NO/c1-2-6-22-17-20(9-10-21(22)5-1)18-24-19-23(25-7-3-4-8-26(24)25)11-12-27-13-15-28-16-14-27/h1-10,17-19H,11-16H2/b24-18+
InChIKeyMFOCWHQSENVFHX-HKOYGPOVSA-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'}

Analyze 4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine (CID 72948233) is 4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine is C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccc2ccccc2c1.
What is the InChIKey of 4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine?
The InChIKey is MFOCWHQSENVFHX-HKOYGPOVSA-N. The full InChI is InChI=1S/C26H25NO/c1-2-6-22-17-20(9-10-21(22)5-1)18-24-19-23(25-7-3-4-8-26(24)25)11-12-27-13-15-28-16-14-27/h1-10,17-19H,11-16H2/b24-18+.
What are the key properties of 4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-(naphthalen-2-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-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 72948233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).