ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate

C17H16N2O3 — CID 11150615

IUPACethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1
InChIInChI=1S/C17H16N2O3/c1-3-22-17(21)15-8-10(2)14(18-15)9-12-11-6-4-5-7-13(11)19-16(12)20/h4-9,18H,3H2,1-2H3,(H,19,20)/b12-9-
InChIKeyBXQWRCZEJFZOMS-XFXZXTDPSA-N
MW296.33 g/mol
LogP2.99
Rot. Bonds3

About ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate

ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate (PubChem CID 11150615) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate
PubChem CID11150615
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Nameethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1
InChIInChI=1S/C17H16N2O3/c1-3-22-17(21)15-8-10(2)14(18-15)9-12-11-6-4-5-7-13(11)19-16(12)20/h4-9,18H,3H2,1-2H3,(H,19,20)/b12-9-
InChIKeyBXQWRCZEJFZOMS-XFXZXTDPSA-N
XLogP2.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

CID 18071365
CID 18071365
CID 232919
CID 232919
CID 563688
CID 563688
CID 73125
CID 73125
CID 657433
CID 657433
CID 78518
CID 78518
CID 137477
CID 137477
CID 6419834
CID 6419834
CID 947964
CID 947964
CID 2738239
CID 2738239
CID 563951
CID 563951
CID 934513
CID 934513

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate (CID 11150615) is ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate is CCOC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1.
What is the InChIKey of ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate?
The InChIKey is BXQWRCZEJFZOMS-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-22-17(21)15-8-10(2)14(18-15)9-12-11-6-4-5-7-13(11)19-16(12)20/h4-9,18H,3H2,1-2H3,(H,19,20)/b12-9-.
What are the key properties of ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate?
ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 11150615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).