2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid

C14H14N2O4 — CID 102711165

IUPAC2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid
SMILESC=CCNC(=O)CN1C(=O)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H14N2O4/c1-2-5-15-12(17)8-16-11-4-3-9(14(19)20)6-10(11)7-13(16)18/h2-4,6H,1,5,7-8H2,(H,15,17)(H,19,20)
InChIKeyCJTAGMKWJZYPFO-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.58
Rot. Bonds5

About 2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid

2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid (PubChem CID 102711165) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid
PubChem CID102711165
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid
SMILESC=CCNC(=O)CN1C(=O)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H14N2O4/c1-2-5-15-12(17)8-16-11-4-3-9(14(19)20)6-10(11)7-13(16)18/h2-4,6H,1,5,7-8H2,(H,15,17)(H,19,20)
InChIKeyCJTAGMKWJZYPFO-UHFFFAOYSA-N
XLogP0.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid?
The IUPAC name of 2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid (CID 102711165) is 2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid?
The canonical SMILES for 2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid is C=CCNC(=O)CN1C(=O)Cc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid?
The InChIKey is CJTAGMKWJZYPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-5-15-12(17)8-16-11-4-3-9(14(19)20)6-10(11)7-13(16)18/h2-4,6H,1,5,7-8H2,(H,15,17)(H,19,20).
What are the key properties of 2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid?
2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid is sourced from PubChem (CID 102711165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).