(3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one

C13H10N2O2 — CID 71680549

IUPAC(3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one
SMILESNc1ccc2c(c1)/C(=C\c1ccco1)C(=O)N2
InChIInChI=1S/C13H10N2O2/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-7H,14H2,(H,15,16)/b11-7+
InChIKeyVSEGODXJTWWVIT-YRNVUSSQSA-N
MW226.24 g/mol
LogP2.35
Rot. Bonds1

About (3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one

(3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one (PubChem CID 71680549) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is (3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one
PubChem CID71680549
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name(3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one
SMILESNc1ccc2c(c1)/C(=C\c1ccco1)C(=O)N2
InChIInChI=1S/C13H10N2O2/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-7H,14H2,(H,15,16)/b11-7+
InChIKeyVSEGODXJTWWVIT-YRNVUSSQSA-N
XLogP2.35
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one
CID 46504701
3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57062180
(3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one
CID 143061968
(3Z)-5-amino-3-[(1,3,5-trimethylpyrrol-2-yl)methylidene]-1H-indol-2-one
CID 58843036
5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
CID 57195875
5-amino-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 54038703
5-amino-1H-indole-2,3-dione;hydrochloride
CID 133055116
5-amino-3-[[3-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methylidene]-1H-indol-2-one
CID 57015297
5-amino-2-(furan-2-ylmethylidene)-3H-inden-1-one
CID 2877934
2-(furan-2-ylmethylidene)-1H-indol-3-one
CID 677294
5-amino-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 54071519
(3Z)-5-(furan-2-ylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 155540289

Frequently Asked Questions

What is the IUPAC name of (3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one (CID 71680549) is (3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one is Nc1ccc2c(c1)/C(=C\c1ccco1)C(=O)N2.
What is the InChIKey of (3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is VSEGODXJTWWVIT-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-7H,14H2,(H,15,16)/b11-7+.
What are the key properties of (3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one?
(3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 226.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 71680549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).