3-benzylidene-6-methyl-1H-indol-2-one

C16H13NO — CID 71248660

IUPAC3-benzylidene-6-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)NC(=O)C2=Cc1ccccc1
InChIInChI=1S/C16H13NO/c1-11-7-8-13-14(16(18)17-15(13)9-11)10-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18)
InChIKeyHHOBPJFWGOJQQM-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.49
Rot. Bonds1

About 3-benzylidene-6-methyl-1H-indol-2-one

3-benzylidene-6-methyl-1H-indol-2-one (PubChem CID 71248660) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-benzylidene-6-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-benzylidene-6-methyl-1H-indol-2-one
PubChem CID71248660
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name3-benzylidene-6-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)NC(=O)C2=Cc1ccccc1
InChIInChI=1S/C16H13NO/c1-11-7-8-13-14(16(18)17-15(13)9-11)10-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18)
InChIKeyHHOBPJFWGOJQQM-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265
(3E)-3-[(3-bromophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 112979057
(3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 59079615
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
(2E)-2-benzylidene-6-methyl-4H-1,4-benzoxazin-3-one
CID 124643521
9-benzylidene-2,7-dimethylfluorene;ethane
CID 91037957
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
5,6-bis(hydroxymethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 164993984
(3E)-6-methyl-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
CID 113196779
(3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 6923929
(3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one
CID 59079665

Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-6-methyl-1H-indol-2-one?
The IUPAC name of 3-benzylidene-6-methyl-1H-indol-2-one (CID 71248660) is 3-benzylidene-6-methyl-1H-indol-2-one.
What is the SMILES notation for 3-benzylidene-6-methyl-1H-indol-2-one?
The canonical SMILES for 3-benzylidene-6-methyl-1H-indol-2-one is Cc1ccc2c(c1)NC(=O)C2=Cc1ccccc1.
What is the InChIKey of 3-benzylidene-6-methyl-1H-indol-2-one?
The InChIKey is HHOBPJFWGOJQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-11-7-8-13-14(16(18)17-15(13)9-11)10-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18).
What are the key properties of 3-benzylidene-6-methyl-1H-indol-2-one?
3-benzylidene-6-methyl-1H-indol-2-one has a molecular weight of 235.29 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-6-methyl-1H-indol-2-one is sourced from PubChem (CID 71248660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).