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

C14H11FN2O2 — CID 23645053

IUPAC(3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C14H11FN2O2/c1-19-13-4-5-16-12(13)7-10-9-6-8(15)2-3-11(9)17-14(10)18/h2-7,16H,1H3,(H,17,18)/b10-7-
InChIKeyBDXDLMWAHSTBQF-YFHOEESVSA-N
MW258.25 g/mol
LogP2.66
Rot. Bonds2

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

(3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 23645053) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is (3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
PubChem CID23645053
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name(3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCOc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C14H11FN2O2/c1-19-13-4-5-16-12(13)7-10-9-6-8(15)2-3-11(9)17-14(10)18/h2-7,16H,1H3,(H,17,18)/b10-7-
InChIKeyBDXDLMWAHSTBQF-YFHOEESVSA-N
XLogP2.66
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
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 (3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 23645053) is (3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is BDXDLMWAHSTBQF-YFHOEESVSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-19-13-4-5-16-12(13)7-10-9-6-8(15)2-3-11(9)17-14(10)18/h2-7,16H,1H3,(H,17,18)/b10-7-.
What are the key properties of (3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
(3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 258.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 23645053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).