3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one

C21H18N2O — CID 24906291

IUPAC3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one
SMILESCN(C)c1ccc(C=C2C(=O)Nc3ccccc32)c2ccccc12
InChIInChI=1S/C21H18N2O/c1-23(2)20-12-11-14(15-7-3-4-9-17(15)20)13-18-16-8-5-6-10-19(16)22-21(18)24/h3-13H,1-2H3,(H,22,24)
InChIKeyVFCXONOPGCDDBQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.40
Rot. Bonds2

About 3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one

3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one (PubChem CID 24906291) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one
PubChem CID24906291
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one
SMILESCN(C)c1ccc(C=C2C(=O)Nc3ccccc32)c2ccccc12
InChIInChI=1S/C21H18N2O/c1-23(2)20-12-11-14(15-7-3-4-9-17(15)20)13-18-16-8-5-6-10-19(16)22-21(18)24/h3-13H,1-2H3,(H,22,24)
InChIKeyVFCXONOPGCDDBQ-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one?
The IUPAC name of 3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one (CID 24906291) is 3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one is CN(C)c1ccc(C=C2C(=O)Nc3ccccc32)c2ccccc12.
What is the InChIKey of 3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one?
The InChIKey is VFCXONOPGCDDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-23(2)20-12-11-14(15-7-3-4-9-17(15)20)13-18-16-8-5-6-10-19(16)22-21(18)24/h3-13H,1-2H3,(H,22,24).
What are the key properties of 3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one?
3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one has a molecular weight of 314.39 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 24906291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).