(3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one

C15H17FN2O — CID 113196070

IUPAC(3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one
SMILESCC1CCCN(/C=C2/C(=O)Nc3ccc(F)cc32)C1
InChIInChI=1S/C15H17FN2O/c1-10-3-2-6-18(8-10)9-13-12-7-11(16)4-5-14(12)17-15(13)19/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,19)/b13-9+
InChIKeyBIODFJYNRQCZHM-UKTHLTGXSA-N
MW260.31 g/mol
LogP2.85
Rot. Bonds1

About (3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one

(3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one (PubChem CID 113196070) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one
PubChem CID113196070
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one
SMILESCC1CCCN(/C=C2/C(=O)Nc3ccc(F)cc32)C1
InChIInChI=1S/C15H17FN2O/c1-10-3-2-6-18(8-10)9-13-12-7-11(16)4-5-14(12)17-15(13)19/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,19)/b13-9+
InChIKeyBIODFJYNRQCZHM-UKTHLTGXSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one
CID 6164315
5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
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(3Z)-3-[(1,3-dimethylazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
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(3E)-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
CID 113195888
(10S)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-9-pyrrolidin-1-yl-1,6-diazatricyclo[8.3.0.03,7]trideca-3(7),4-dien-2-one
CID 142233837
(3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one
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CID 73212798
CID 73212798

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one (CID 113196070) is (3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one is CC1CCCN(/C=C2/C(=O)Nc3ccc(F)cc32)C1.
What is the InChIKey of (3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one?
The InChIKey is BIODFJYNRQCZHM-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-3-2-6-18(8-10)9-13-12-7-11(16)4-5-14(12)17-15(13)19/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,19)/b13-9+.
What are the key properties of (3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one has a molecular weight of 260.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 113196070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).