3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one

C15H11NO3 — CID 71835393

IUPAC3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one
SMILESCc1ccc(C(=O)C=C2C(=O)Nc3ccccc32)o1
InChIInChI=1S/C15H11NO3/c1-9-6-7-14(19-9)13(17)8-11-10-4-2-3-5-12(10)16-15(11)18/h2-8H,1H3,(H,16,18)
InChIKeyLBIBZZYWFHIEMU-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.81
Rot. Bonds2

About 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one

3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one (PubChem CID 71835393) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one
PubChem CID71835393
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one
SMILESCc1ccc(C(=O)C=C2C(=O)Nc3ccccc32)o1
InChIInChI=1S/C15H11NO3/c1-9-6-7-14(19-9)13(17)8-11-10-4-2-3-5-12(10)16-15(11)18/h2-8H,1H3,(H,16,18)
InChIKeyLBIBZZYWFHIEMU-UHFFFAOYSA-N
XLogP2.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.81
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-phenacylidene-1H-indol-2-one
CID 682362
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191
(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947880
(3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one
CID 139228161
(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one
CID 10446890
N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide
CID 171390286
(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one
CID 177425892
3-[2-(3-nitrophenyl)-2-oxoethylidene]-1H-indol-2-one
CID 948057
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one?
The IUPAC name of 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one (CID 71835393) is 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one?
The canonical SMILES for 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one is Cc1ccc(C(=O)C=C2C(=O)Nc3ccccc32)o1.
What is the InChIKey of 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one?
The InChIKey is LBIBZZYWFHIEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9-6-7-14(19-9)13(17)8-11-10-4-2-3-5-12(10)16-15(11)18/h2-8H,1H3,(H,16,18).
What are the key properties of 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one?
3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one has a molecular weight of 253.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one is sourced from PubChem (CID 71835393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).