5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one

C18H18N2O2 — CID 57195875

IUPAC5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
SMILESCc1c(C=C2C(=O)Nc3ccc(N)cc32)oc2c1CCCC2
InChIInChI=1S/C18H18N2O2/c1-10-12-4-2-3-5-16(12)22-17(10)9-14-13-8-11(19)6-7-15(13)20-18(14)21/h6-9H,2-5,19H2,1H3,(H,20,21)
InChIKeyPAMBQSXFWJHPTJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.54
Rot. Bonds1

About 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one

5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one (PubChem CID 57195875) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
PubChem CID57195875
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
SMILESCc1c(C=C2C(=O)Nc3ccc(N)cc32)oc2c1CCCC2
InChIInChI=1S/C18H18N2O2/c1-10-12-4-2-3-5-16(12)22-17(10)9-14-13-8-11(19)6-7-15(13)20-18(14)21/h6-9H,2-5,19H2,1H3,(H,20,21)
InChIKeyPAMBQSXFWJHPTJ-UHFFFAOYSA-N
XLogP3.54
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.54
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'}

Analyze 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one with MolForge

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Related Compounds

5-amino-3-[[3-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methylidene]-1H-indol-2-one
CID 57015297
5-amino-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
CID 56993073
3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-5-morpholin-4-ylsulfonyl-1H-indol-2-one
CID 57291163
3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-5-iodo-1H-indol-2-one
CID 57153956
5-ethyl-3-[[3-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methylidene]-1H-indol-2-one
CID 57129320
ethyl 2-[[5-(2-chloroethyl)-2-oxo-1H-indol-3-ylidene]methyl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
CID 57113292
3-[[3-(anilinomethyl)-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methylidene]-5-methyl-1H-indol-2-one
CID 57136209
3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
CID 57163442
methyl 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-carboxylate
CID 57159961
2-oxo-3-[(3-phenyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indole-5-carboxylic acid
CID 57188893
5-amino-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 54038703
(3Z)-5-amino-3-[(1,3,5-trimethylpyrrol-2-yl)methylidene]-1H-indol-2-one
CID 58843036

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one (CID 57195875) is 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one is Cc1c(C=C2C(=O)Nc3ccc(N)cc32)oc2c1CCCC2.
What is the InChIKey of 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is PAMBQSXFWJHPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-10-12-4-2-3-5-16(12)22-17(10)9-14-13-8-11(19)6-7-15(13)20-18(14)21/h6-9H,2-5,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one?
5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57195875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).