(2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one

C20H16FNO — CID 129056674

IUPAC(2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCn1ccc2cc(/C=C3\CCc4ccc(F)cc4C3=O)ccc21
InChIInChI=1S/C20H16FNO/c1-22-9-8-15-10-13(2-7-19(15)22)11-16-4-3-14-5-6-17(21)12-18(14)20(16)23/h2,5-12H,3-4H2,1H3/b16-11+
InChIKeyXARRRMOGAAKFMH-LFIBNONCSA-N
MW305.35 g/mol
LogP4.53
Rot. Bonds1

About (2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one

(2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 129056674) has the molecular formula C20H16FNO and a molecular weight of 305.35 g/mol. Its IUPAC name is (2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID129056674
Molecular FormulaC20H16FNO
Molecular Weight305.35 g/mol
Exact Mass305.12
IUPAC Name(2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCn1ccc2cc(/C=C3\CCc4ccc(F)cc4C3=O)ccc21
InChIInChI=1S/C20H16FNO/c1-22-9-8-15-10-13(2-7-19(15)22)11-16-4-3-14-5-6-17(21)12-18(14)20(16)23/h2,5-12H,3-4H2,1H3/b16-11+
InChIKeyXARRRMOGAAKFMH-LFIBNONCSA-N
XLogP4.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.53
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)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one (CID 129056674) is (2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one is Cn1ccc2cc(/C=C3\CCc4ccc(F)cc4C3=O)ccc21.
What is the InChIKey of (2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is XARRRMOGAAKFMH-LFIBNONCSA-N. The full InChI is InChI=1S/C20H16FNO/c1-22-9-8-15-10-13(2-7-19(15)22)11-16-4-3-14-5-6-17(21)12-18(14)20(16)23/h2,5-12H,3-4H2,1H3/b16-11+.
What are the key properties of (2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one?
(2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 305.35 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-7-fluoro-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 129056674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).