[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate

C15H14N2O4 — CID 7722919

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H14N2O4/c18-13-6-3-7-17(13)14(19)9-21-15(20)12-8-10-4-1-2-5-11(10)16-12/h1-2,4-5,8,16H,3,6-7,9H2
InChIKeyJBGFFCSJZFQJBX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.47
Rot. Bonds3

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate (PubChem CID 7722919) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate
PubChem CID7722919
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H14N2O4/c18-13-6-3-7-17(13)14(19)9-21-15(20)12-8-10-4-1-2-5-11(10)16-12/h1-2,4-5,8,16H,3,6-7,9H2
InChIKeyJBGFFCSJZFQJBX-UHFFFAOYSA-N
XLogP1.47
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] anthracene-9-carboxylate
CID 3662156
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2627836
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-(cyclopentylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723573
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,6-dichloropyridine-2-carboxylate
CID 2633537
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7664769
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylquinoline-4-carboxylate
CID 2633522
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723276
butyl 1H-indole-2-carboxylate
CID 54052397
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride
CID 57340224
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-amino-4-chlorobenzoate
CID 2630465

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate (CID 7722919) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate is O=C(OCC(=O)N1CCCC1=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate?
The InChIKey is JBGFFCSJZFQJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13-6-3-7-17(13)14(19)9-21-15(20)12-8-10-4-1-2-5-11(10)16-12/h1-2,4-5,8,16H,3,6-7,9H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7722919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).