(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one

C18H11NO3 — CID 2360379

IUPAC(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1coc2ccccc2c1=O
InChIInChI=1S/C18H11NO3/c20-17-11(10-22-16-8-4-2-6-13(16)17)9-14-12-5-1-3-7-15(12)19-18(14)21/h1-10H,(H,19,21)/b14-9+
InChIKeyDAFFBWCJVXCNBW-NTEUORMPSA-N
MW289.29 g/mol
LogP3.29
Rot. Bonds1

About (3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one

(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one (PubChem CID 2360379) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is (3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
PubChem CID2360379
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1coc2ccccc2c1=O
InChIInChI=1S/C18H11NO3/c20-17-11(10-22-16-8-4-2-6-13(16)17)9-14-12-5-1-3-7-15(12)19-18(14)21/h1-10H,(H,19,21)/b14-9+
InChIKeyDAFFBWCJVXCNBW-NTEUORMPSA-N
XLogP3.29
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.29
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

6-chloro-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
CID 4102790
5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2186033
(5Z)-1-(4-methylphenyl)-5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 46258225
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
(5Z)-5-[(4-oxochromen-3-yl)methylidene]-1-[(1S)-1-phenylethyl]-1,3-diazinane-2,4,6-trione
CID 51660255
(5Z)-5-[(4-oxochromen-3-yl)methylidene]-1-(1-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 45105225
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one
CID 54199953
3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one
CID 78015919
3-(1H-indol-4-ylmethylidene)-1H-indol-2-one
CID 69453304
(3Z)-5,6-dimethoxy-3-[(4-oxo-6-propan-2-ylchromen-3-yl)methylidene]-1H-indol-2-one
CID 58843050
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one (CID 2360379) is (3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1coc2ccccc2c1=O.
What is the InChIKey of (3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one?
The InChIKey is DAFFBWCJVXCNBW-NTEUORMPSA-N. The full InChI is InChI=1S/C18H11NO3/c20-17-11(10-22-16-8-4-2-6-13(16)17)9-14-12-5-1-3-7-15(12)19-18(14)21/h1-10H,(H,19,21)/b14-9+.
What are the key properties of (3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one?
(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one has a molecular weight of 289.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2360379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).