(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one

C16H12FNO — CID 92958265

IUPAC(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=C\c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C16H12FNO/c1-10-2-7-15-13(8-10)14(16(19)18-15)9-11-3-5-12(17)6-4-11/h2-9H,1H3,(H,18,19)/b14-9+
InChIKeyISSMYPNEPCVKCQ-NTEUORMPSA-N
MW253.28 g/mol
LogP3.63
Rot. Bonds1

About (3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one

(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one (PubChem CID 92958265) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is (3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
PubChem CID92958265
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=C\c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C16H12FNO/c1-10-2-7-15-13(8-10)14(16(19)18-15)9-11-3-5-12(17)6-4-11/h2-9H,1H3,(H,18,19)/b14-9+
InChIKeyISSMYPNEPCVKCQ-NTEUORMPSA-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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Related Compounds

(3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 6923929
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246090
(3E)-3-[(3-bromophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 112979057
(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 92962049
(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 59079660
(3E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-5-methyl-1H-indol-2-one
CID 112979062
3-benzylidene-6-methyl-1H-indol-2-one
CID 71248660
(3E)-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-5-methyl-1H-indol-2-one
CID 22500209
(3Z)-5-fluoro-3-[[4-[1-(3-methylphenyl)triazol-4-yl]phenyl]methylidene]-1H-indol-2-one
CID 150194658
5,6-bis(hydroxymethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 164993984
(3E)-3-[(3-ethoxyphenyl)methylidene]-5-methyl-1H-indol-2-one
CID 112979053

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one?
The IUPAC name of (3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one (CID 92958265) is (3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one is Cc1ccc2c(c1)/C(=C\c1ccc(F)cc1)C(=O)N2.
What is the InChIKey of (3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one?
The InChIKey is ISSMYPNEPCVKCQ-NTEUORMPSA-N. The full InChI is InChI=1S/C16H12FNO/c1-10-2-7-15-13(8-10)14(16(19)18-15)9-11-3-5-12(17)6-4-11/h2-9H,1H3,(H,18,19)/b14-9+.
What are the key properties of (3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one?
(3E)-3-[(4-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 (3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one is sourced from PubChem (CID 92958265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).