[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate

C17H16N2O3 — CID 11197220

IUPAC[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate
SMILESCC(=O)ON1C(=O)/C(=C\c2[nH]c(C)cc2C)c2ccccc21
InChIInChI=1S/C17H16N2O3/c1-10-8-11(2)18-15(10)9-14-13-6-4-5-7-16(13)19(17(14)21)22-12(3)20/h4-9,18H,1-3H3/b14-9-
InChIKeyHWWYXYHWXAFCRN-ZROIWOOFSA-N
MW296.33 g/mol
LogP3.00
Rot. Bonds2

About [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate

[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate (PubChem CID 11197220) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate.

Molecular Properties

Compound Name[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate
PubChem CID11197220
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate
SMILESCC(=O)ON1C(=O)/C(=C\c2[nH]c(C)cc2C)c2ccccc21
InChIInChI=1S/C17H16N2O3/c1-10-8-11(2)18-15(10)9-14-13-6-4-5-7-16(13)19(17(14)21)22-12(3)20/h4-9,18H,1-3H3/b14-9-
InChIKeyHWWYXYHWXAFCRN-ZROIWOOFSA-N
XLogP3.00
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate?
The IUPAC name of [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate (CID 11197220) is [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate.
What is the SMILES notation for [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate?
The canonical SMILES for [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate is CC(=O)ON1C(=O)/C(=C\c2[nH]c(C)cc2C)c2ccccc21.
What is the InChIKey of [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate?
The InChIKey is HWWYXYHWXAFCRN-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-8-11(2)18-15(10)9-14-13-6-4-5-7-16(13)19(17(14)21)22-12(3)20/h4-9,18H,1-3H3/b14-9-.
What are the key properties of [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate?
[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate has a molecular weight of 296.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindol-1-yl] acetate is sourced from PubChem (CID 11197220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).