5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid

C15H10ClNO3Se — CID 74943701

IUPAC5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid
SMILESCc1[se]c(C=C2C(=O)Nc3ccc(Cl)cc32)cc1C(=O)O
InChIInChI=1S/C15H10ClNO3Se/c1-7-10(15(19)20)5-9(21-7)6-12-11-4-8(16)2-3-13(11)17-14(12)18/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyDHQGXTAAOWJLBB-UHFFFAOYSA-N
MW366.66 g/mol
LogP2.90
Rot. Bonds2

About 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid

5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid (PubChem CID 74943701) has the molecular formula C15H10ClNO3Se and a molecular weight of 366.66 g/mol. Its IUPAC name is 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid
PubChem CID74943701
Molecular FormulaC15H10ClNO3Se
Molecular Weight366.66 g/mol
Exact Mass366.95
IUPAC Name5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid
SMILESCc1[se]c(C=C2C(=O)Nc3ccc(Cl)cc32)cc1C(=O)O
InChIInChI=1S/C15H10ClNO3Se/c1-7-10(15(19)20)5-9(21-7)6-12-11-4-8(16)2-3-13(11)17-14(12)18/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyDHQGXTAAOWJLBB-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.66
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid?
The IUPAC name of 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid (CID 74943701) is 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid.
What is the SMILES notation for 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid?
The canonical SMILES for 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid is Cc1[se]c(C=C2C(=O)Nc3ccc(Cl)cc32)cc1C(=O)O.
What is the InChIKey of 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid?
The InChIKey is DHQGXTAAOWJLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3Se/c1-7-10(15(19)20)5-9(21-7)6-12-11-4-8(16)2-3-13(11)17-14(12)18/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid?
5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid has a molecular weight of 366.66 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methylselenophene-3-carboxylic acid is sourced from PubChem (CID 74943701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).