(3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one

C16H12FNO — CID 6260424

IUPAC(3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=C/c1ccccc1F)C(=O)N2
InChIInChI=1S/C16H12FNO/c1-10-6-7-15-12(8-10)13(16(19)18-15)9-11-4-2-3-5-14(11)17/h2-9H,1H3,(H,18,19)/b13-9-
InChIKeyRDQMWTVUMTXRLF-LCYFTJDESA-N
MW253.28 g/mol
LogP3.63
Rot. Bonds1

About (3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one

(3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one (PubChem CID 6260424) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is (3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
PubChem CID6260424
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name(3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=C/c1ccccc1F)C(=O)N2
InChIInChI=1S/C16H12FNO/c1-10-6-7-15-12(8-10)13(16(19)18-15)9-11-4-2-3-5-14(11)17/h2-9H,1H3,(H,18,19)/b13-9-
InChIKeyRDQMWTVUMTXRLF-LCYFTJDESA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one (CID 6260424) is (3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one is Cc1ccc2c(c1)/C(=C/c1ccccc1F)C(=O)N2.
What is the InChIKey of (3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one?
The InChIKey is RDQMWTVUMTXRLF-LCYFTJDESA-N. The full InChI is InChI=1S/C16H12FNO/c1-10-6-7-15-12(8-10)13(16(19)18-15)9-11-4-2-3-5-14(11)17/h2-9H,1H3,(H,18,19)/b13-9-.
What are the key properties of (3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one?
(3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one has a molecular weight of 253.28 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one is sourced from PubChem (CID 6260424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).