(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one

C18H18N2O — CID 5293755

IUPAC(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
InChIKeyTUNFCKFZFPSXAU-VBKFSLOCSA-N
MW278.36 g/mol
LogP3.27
Rot. Bonds2

About (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one (PubChem CID 5293755) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one
PubChem CID5293755
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
InChIKeyTUNFCKFZFPSXAU-VBKFSLOCSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one?
The IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one (CID 5293755) is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one.
What is the SMILES notation for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one?
The canonical SMILES for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one is CN(C)c1ccc(/C=C2\C(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one?
The InChIKey is TUNFCKFZFPSXAU-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-.
What are the key properties of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one?
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-methylindol-2-one is sourced from PubChem (CID 5293755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).