4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine

C23H25NO — CID 118332422

IUPAC4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESCc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C23H25NO/c1-18-6-2-3-7-19(18)16-21-17-20(22-8-4-5-9-23(21)22)10-11-24-12-14-25-15-13-24/h2-9,16-17H,10-15H2,1H3/b21-16+
InChIKeyKGOPQVLVTYEINE-LTGZKZEYSA-N
MW331.46 g/mol
LogP4.65
Rot. Bonds4

About 4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine

4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine (PubChem CID 118332422) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine
PubChem CID118332422
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESCc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C23H25NO/c1-18-6-2-3-7-19(18)16-21-17-20(22-8-4-5-9-23(21)22)10-11-24-12-14-25-15-13-24/h2-9,16-17H,10-15H2,1H3/b21-16+
InChIKeyKGOPQVLVTYEINE-LTGZKZEYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine (CID 118332422) is 4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine is Cc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
The InChIKey is KGOPQVLVTYEINE-LTGZKZEYSA-N. The full InChI is InChI=1S/C23H25NO/c1-18-6-2-3-7-19(18)16-21-17-20(22-8-4-5-9-23(21)22)10-11-24-12-14-25-15-13-24/h2-9,16-17H,10-15H2,1H3/b21-16+.
What are the key properties of 4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine has a molecular weight of 331.46 g/mol, XLogP of 4.65, 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-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 118332422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).