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

C21H23NO — CID 57269409

IUPAC5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one
SMILESCCc1ccc2c(c1)C(=CC1=C(C)C3=C(CCCC3)C1)C(=O)N2
InChIInChI=1S/C21H23NO/c1-3-14-8-9-20-18(10-14)19(21(23)22-20)12-16-11-15-6-4-5-7-17(15)13(16)2/h8-10,12H,3-7,11H2,1-2H3,(H,22,23)
InChIKeyGAEJFWSNGCRXCK-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.18
Rot. Bonds2

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

5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one (PubChem CID 57269409) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one
PubChem CID57269409
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one
SMILESCCc1ccc2c(c1)C(=CC1=C(C)C3=C(CCCC3)C1)C(=O)N2
InChIInChI=1S/C21H23NO/c1-3-14-8-9-20-18(10-14)19(21(23)22-20)12-16-11-15-6-4-5-7-17(15)13(16)2/h8-10,12H,3-7,11H2,1-2H3,(H,22,23)
InChIKeyGAEJFWSNGCRXCK-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 57044028
5-ethyl-3-[(3-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57029849
5-ethyl-3-[[3-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-2-yl]methylidene]-1H-indol-2-one
CID 57129320
5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 57001674
(3E)-5-bromo-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 756584
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
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-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-5-iodo-1H-indol-2-one
CID 57153956
2-[[5-(2-carboxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid
CID 57065805
methyl 3-[(3-ethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-2-oxo-1H-indole-5-carboxylate
CID 57159961
5-amino-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
CID 56993073
3-(4,5,6,7-tetrahydro-1H-inden-2-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one
CID 57074077

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one (CID 57269409) is 5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one is CCc1ccc2c(c1)C(=CC1=C(C)C3=C(CCCC3)C1)C(=O)N2.
What is the InChIKey of 5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is GAEJFWSNGCRXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-14-8-9-20-18(10-14)19(21(23)22-20)12-16-11-15-6-4-5-7-17(15)13(16)2/h8-10,12H,3-7,11H2,1-2H3,(H,22,23).
What are the key properties of 5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one?
5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 305.42 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 57269409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).