(3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one

C17H16N2O — CID 113196655

IUPAC(3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=C\N(C)c1ccccc1)C(=O)N2
InChIInChI=1S/C17H16N2O/c1-12-8-9-16-14(10-12)15(17(20)18-16)11-19(2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,20)/b15-11+
InChIKeyVYPMAWOJFWDYAQ-RVDMUPIBSA-N
MW264.33 g/mol
LogP3.42
Rot. Bonds2

About (3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one

(3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one (PubChem CID 113196655) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one
PubChem CID113196655
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=C\N(C)c1ccccc1)C(=O)N2
InChIInChI=1S/C17H16N2O/c1-12-8-9-16-14(10-12)15(17(20)18-16)11-19(2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,20)/b15-11+
InChIKeyVYPMAWOJFWDYAQ-RVDMUPIBSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methylidene]-5-methyl-1H-indol-2-one
CID 113196626
(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265
ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
(3E)-3-(1H-indol-3-ylmethylidene)-5-methyl-1H-indol-2-one
CID 112979063
(3E)-3-[(3-bromophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 112979057
3-benzylidene-6-methyl-1H-indol-2-one
CID 71248660
(3E)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methylidene]-5-methyl-1H-indol-2-one
CID 113196627
5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one
CID 91061245
(3E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-5-methyl-1H-indol-2-one
CID 112979062
3-(dimethylaminomethylidene)-5-fluoro-1H-indol-2-one
CID 70497193
(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 92962049
2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 135531721

Frequently Asked Questions

What is the IUPAC name of (3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one (CID 113196655) is (3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one is Cc1ccc2c(c1)/C(=C\N(C)c1ccccc1)C(=O)N2.
What is the InChIKey of (3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one?
The InChIKey is VYPMAWOJFWDYAQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-8-9-16-14(10-12)15(17(20)18-16)11-19(2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,20)/b15-11+.
What are the key properties of (3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one?
(3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one is sourced from PubChem (CID 113196655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).