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

C18H17N3O2 — CID 118721414

IUPAC(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncccc2/C1=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H17N3O2/c22-18-16(15-2-1-7-19-17(15)20-18)12-13-3-5-14(6-4-13)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,19,20,22)/b16-12-
InChIKeyNDSPZHRDBTZJBB-VBKFSLOCSA-N
MW307.35 g/mol
LogP2.41
Rot. Bonds2

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

(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 118721414) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID118721414
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncccc2/C1=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H17N3O2/c22-18-16(15-2-1-7-19-17(15)20-18)12-13-3-5-14(6-4-13)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,19,20,22)/b16-12-
InChIKeyNDSPZHRDBTZJBB-VBKFSLOCSA-N
XLogP2.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (CID 118721414) is (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is O=C1Nc2ncccc2/C1=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is NDSPZHRDBTZJBB-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18-16(15-2-1-7-19-17(15)20-18)12-13-3-5-14(6-4-13)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,19,20,22)/b16-12-.
What are the key properties of (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 307.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 118721414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).