3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C19H13ClN2O — CID 70197611

IUPAC3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=C(c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C19H13ClN2O/c20-13-9-7-12(8-10-13)17(16-6-3-11-21-16)18-14-4-1-2-5-15(14)22-19(18)23/h1-11,21H,(H,22,23)
InChIKeyGLHXHGBWQJZMCX-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.58
Rot. Bonds2

About 3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 70197611) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
PubChem CID70197611
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=C(c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C19H13ClN2O/c20-13-9-7-12(8-10-13)17(16-6-3-11-21-16)18-14-4-1-2-5-15(14)22-19(18)23/h1-11,21H,(H,22,23)
InChIKeyGLHXHGBWQJZMCX-UHFFFAOYSA-N
XLogP4.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.58
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 70197611) is 3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=C(c1ccc(Cl)cc1)c1ccc[nH]1.
What is the InChIKey of 3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is GLHXHGBWQJZMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-13-9-7-12(8-10-13)17(16-6-3-11-21-16)18-14-4-1-2-5-15(14)22-19(18)23/h1-11,21H,(H,22,23).
What are the key properties of 3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 320.78 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 70197611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).