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

C14H12ClFN2O2 — CID 142651458

IUPAC5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride
SMILESCOc1cc[nH]c1C=C1C(=O)Nc2ccc(F)cc21.Cl
InChIInChI=1S/C14H11FN2O2.ClH/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);1H
InChIKeyKZVCJHPNQRPBGH-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.08
Rot. Bonds2

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

5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride (PubChem CID 142651458) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride.

Molecular Properties

Compound Name5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride
PubChem CID142651458
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride
SMILESCOc1cc[nH]c1C=C1C(=O)Nc2ccc(F)cc21.Cl
InChIInChI=1S/C14H11FN2O2.ClH/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);1H
InChIKeyKZVCJHPNQRPBGH-UHFFFAOYSA-N
XLogP3.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.08
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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Related Compounds

(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 112979100
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009
(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 112979164
(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 22500239
(3E)-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 16735296
(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 59079660
6-fluoro-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66985431
5-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 54391150
(4E)-4-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-6H-thieno[2,3-b]pyrrol-5-one
CID 18626975
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
3-(dimethylaminomethylidene)-5-fluoro-1H-indol-2-one
CID 70497193
CID 73212798
CID 73212798

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride?
The IUPAC name of 5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride (CID 142651458) is 5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride.
What is the SMILES notation for 5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride?
The canonical SMILES for 5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride is COc1cc[nH]c1C=C1C(=O)Nc2ccc(F)cc21.Cl.
What is the InChIKey of 5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride?
The InChIKey is KZVCJHPNQRPBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2.ClH/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);1H.
What are the key properties of 5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride?
5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride has a molecular weight of 294.71 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride is sourced from PubChem (CID 142651458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).