(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one

C16H15N3O — CID 66556402

IUPAC(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)Nc3ncccc32)cc1
InChIInChI=1S/C16H15N3O/c1-19(2)12-7-5-11(6-8-12)10-14-13-4-3-9-17-15(13)18-16(14)20/h3-10H,1-2H3,(H,17,18,20)/b14-10-
InChIKeyIMGMXGSYHAJNFZ-UVTDQMKNSA-N
MW265.32 g/mol
LogP2.64
Rot. Bonds2

About (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 66556402) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID66556402
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)Nc3ncccc32)cc1
InChIInChI=1S/C16H15N3O/c1-19(2)12-7-5-11(6-8-12)10-14-13-4-3-9-17-15(13)18-16(14)20/h3-10H,1-2H3,(H,17,18,20)/b14-10-
InChIKeyIMGMXGSYHAJNFZ-UVTDQMKNSA-N
XLogP2.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (CID 66556402) is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is CN(C)c1ccc(/C=C2\C(=O)Nc3ncccc32)cc1.
What is the InChIKey of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is IMGMXGSYHAJNFZ-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19(2)12-7-5-11(6-8-12)10-14-13-4-3-9-17-15(13)18-16(14)20/h3-10H,1-2H3,(H,17,18,20)/b14-10-.
What are the key properties of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 66556402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).