(2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one

C21H19NO — CID 134149555

IUPAC(2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCCn1ccc2cc(/C=C3\CCc4ccccc4C3=O)ccc21
InChIInChI=1S/C21H19NO/c1-2-22-12-11-17-13-15(7-10-20(17)22)14-18-9-8-16-5-3-4-6-19(16)21(18)23/h3-7,10-14H,2,8-9H2,1H3/b18-14+
InChIKeyHQRHFRWVQNQMMN-NBVRZTHBSA-N
MW301.39 g/mol
LogP4.87
Rot. Bonds2

About (2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one

(2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 134149555) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID134149555
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCCn1ccc2cc(/C=C3\CCc4ccccc4C3=O)ccc21
InChIInChI=1S/C21H19NO/c1-2-22-12-11-17-13-15(7-10-20(17)22)14-18-9-8-16-5-3-4-6-19(16)21(18)23/h3-7,10-14H,2,8-9H2,1H3/b18-14+
InChIKeyHQRHFRWVQNQMMN-NBVRZTHBSA-N
XLogP4.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one (CID 134149555) is (2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one is CCn1ccc2cc(/C=C3\CCc4ccccc4C3=O)ccc21.
What is the InChIKey of (2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is HQRHFRWVQNQMMN-NBVRZTHBSA-N. The full InChI is InChI=1S/C21H19NO/c1-2-22-12-11-17-13-15(7-10-20(17)22)14-18-9-8-16-5-3-4-6-19(16)21(18)23/h3-7,10-14H,2,8-9H2,1H3/b18-14+.
What are the key properties of (2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
(2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 301.39 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(1-ethylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 134149555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).