(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C14H11FN2O — CID 59079660

IUPAC(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCc1c[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1
InChIInChI=1S/C14H11FN2O/c1-8-4-10(16-7-8)6-12-11-5-9(15)2-3-13(11)17-14(12)18/h2-7,16H,1H3,(H,17,18)/b12-6-
InChIKeyBSANNXNSROBMGV-SDQBBNPISA-N
MW242.25 g/mol
LogP2.95
Rot. Bonds1

About (3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 59079660) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is (3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
PubChem CID59079660
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCc1c[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1
InChIInChI=1S/C14H11FN2O/c1-8-4-10(16-7-8)6-12-11-5-9(15)2-3-13(11)17-14(12)18/h2-7,16H,1H3,(H,17,18)/b12-6-
InChIKeyBSANNXNSROBMGV-SDQBBNPISA-N
XLogP2.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265
(3Z)-3-[(1,3-dimethylazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 68581049
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
3-(dimethylaminomethylidene)-5-fluoro-1H-indol-2-one
CID 70497193
CID 73212798
CID 73212798
(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 112979100
5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride
CID 142651458
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246090
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009
(3Z)-3-[(3,5-dimethyl-4-nitro-1H-pyrrol-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 25058967
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402
(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 59301613

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 59079660) is (3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is Cc1c[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1.
What is the InChIKey of (3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is BSANNXNSROBMGV-SDQBBNPISA-N. The full InChI is InChI=1S/C14H11FN2O/c1-8-4-10(16-7-8)6-12-11-5-9(15)2-3-13(11)17-14(12)18/h2-7,16H,1H3,(H,17,18)/b12-6-.
What are the key properties of (3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 242.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 59079660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).