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

C18H10FNO3 — CID 87504644

IUPAC(3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C\c1c2cccccc-2oc1=O
InChIInChI=1S/C18H10FNO3/c19-10-6-7-15-12(8-10)13(17(21)20-15)9-14-11-4-2-1-3-5-16(11)23-18(14)22/h1-9H,(H,20,21)/b13-9+
InChIKeyJSZSZFUGGHABBA-UKTHLTGXSA-N
MW307.28 g/mol
LogP3.38
Rot. Bonds1

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

(3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one (PubChem CID 87504644) has the molecular formula C18H10FNO3 and a molecular weight of 307.28 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one
PubChem CID87504644
Molecular FormulaC18H10FNO3
Molecular Weight307.28 g/mol
Exact Mass307.06
IUPAC Name(3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C\c1c2cccccc-2oc1=O
InChIInChI=1S/C18H10FNO3/c19-10-6-7-15-12(8-10)13(17(21)20-15)9-14-11-4-2-1-3-5-16(11)23-18(14)22/h1-9H,(H,20,21)/b13-9+
InChIKeyJSZSZFUGGHABBA-UKTHLTGXSA-N
XLogP3.38
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(1,3-dimethylazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 68581049
(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 59301613
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 71511474
(3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one
CID 59301657
methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 72539022
methyl 2-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 59190215
CID 73212798
CID 73212798
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402
3-(dimethylaminomethylidene)-5-fluoro-1H-indol-2-one
CID 70497193
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246090
(3Z)-5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 59079660

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one (CID 87504644) is (3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C\c1c2cccccc-2oc1=O.
What is the InChIKey of (3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one?
The InChIKey is JSZSZFUGGHABBA-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H10FNO3/c19-10-6-7-15-12(8-10)13(17(21)20-15)9-14-11-4-2-1-3-5-16(11)23-18(14)22/h1-9H,(H,20,21)/b13-9+.
What are the key properties of (3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one has a molecular weight of 307.28 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 87504644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).