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

C20H17NO — CID 134154232

IUPAC(2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCn1ccc2cc(/C=C3\CCc4ccccc4C3=O)ccc21
InChIInChI=1S/C20H17NO/c1-21-11-10-16-12-14(6-9-19(16)21)13-17-8-7-15-4-2-3-5-18(15)20(17)22/h2-6,9-13H,7-8H2,1H3/b17-13+
InChIKeyGCNWSHSTJJQQRT-GHRIWEEISA-N
MW287.36 g/mol
LogP4.39
Rot. Bonds1

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

(2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 134154232) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is (2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID134154232
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name(2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCn1ccc2cc(/C=C3\CCc4ccccc4C3=O)ccc21
InChIInChI=1S/C20H17NO/c1-21-11-10-16-12-14(6-9-19(16)21)13-17-8-7-15-4-2-3-5-18(15)20(17)22/h2-6,9-13H,7-8H2,1H3/b17-13+
InChIKeyGCNWSHSTJJQQRT-GHRIWEEISA-N
XLogP4.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.39
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-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one (CID 134154232) is (2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one is Cn1ccc2cc(/C=C3\CCc4ccccc4C3=O)ccc21.
What is the InChIKey of (2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is GCNWSHSTJJQQRT-GHRIWEEISA-N. The full InChI is InChI=1S/C20H17NO/c1-21-11-10-16-12-14(6-9-19(16)21)13-17-8-7-15-4-2-3-5-18(15)20(17)22/h2-6,9-13H,7-8H2,1H3/b17-13+.
What are the key properties of (2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
(2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 287.36 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 134154232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).