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

C28H29NO — CID 72950702

IUPAC4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
SMILESCCc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C28H29NO/c1-2-21-11-12-22(26-8-4-3-7-25(21)26)19-24-20-23(27-9-5-6-10-28(24)27)13-14-29-15-17-30-18-16-29/h3-12,19-20H,2,13-18H2,1H3/b24-19+
InChIKeyXCRNNVGBASJBRF-LYBHJNIJSA-N
MW395.55 g/mol
LogP6.06
Rot. Bonds5

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

4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine (PubChem CID 72950702) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
PubChem CID72950702
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
SMILESCCc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C28H29NO/c1-2-21-11-12-22(26-8-4-3-7-25(21)26)19-24-20-23(27-9-5-6-10-28(24)27)13-14-29-15-17-30-18-16-29/h3-12,19-20H,2,13-18H2,1H3/b24-19+
InChIKeyXCRNNVGBASJBRF-LYBHJNIJSA-N
XLogP6.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 56.06
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-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine (CID 72950702) is 4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine is CCc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)c2ccccc12.
What is the InChIKey of 4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine?
The InChIKey is XCRNNVGBASJBRF-LYBHJNIJSA-N. The full InChI is InChI=1S/C28H29NO/c1-2-21-11-12-22(26-8-4-3-7-25(21)26)19-24-20-23(27-9-5-6-10-28(24)27)13-14-29-15-17-30-18-16-29/h3-12,19-20H,2,13-18H2,1H3/b24-19+.
What are the key properties of 4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine has a molecular weight of 395.55 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 72950702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).