7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione

C14H13BrN2O3 — CID 60711537

IUPAC7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(=O)N2CCCC2)c2c(Br)cccc21
InChIInChI=1S/C14H13BrN2O3/c15-10-5-3-4-9-12(10)17(14(20)13(9)19)8-11(18)16-6-1-2-7-16/h3-5H,1-2,6-8H2
InChIKeyCKIJWMPKANQNKG-UHFFFAOYSA-N
MW337.17 g/mol
LogP1.60
Rot. Bonds2

About 7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione

7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione (PubChem CID 60711537) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
PubChem CID60711537
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(=O)N2CCCC2)c2c(Br)cccc21
InChIInChI=1S/C14H13BrN2O3/c15-10-5-3-4-9-12(10)17(14(20)13(9)19)8-11(18)16-6-1-2-7-16/h3-5H,1-2,6-8H2
InChIKeyCKIJWMPKANQNKG-UHFFFAOYSA-N
XLogP1.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione
CID 17447980
methyl 2-(7-bromo-2,3-dioxoindol-1-yl)acetate
CID 61355610
7-bromo-1-(2-hydroxyethyl)indole-2,3-dione
CID 61357109
ethyl 4-(7-bromo-2,3-dioxoindol-1-yl)-3-oxobutanoate
CID 63896840
7-bromo-1-(5-hydroxypentyl)indole-2,3-dione
CID 62226920
7-bromo-1-(2-methylidenebutyl)indole-2,3-dione
CID 66046443
2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 61356667
2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 61356503
7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
CID 61356437
7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione
CID 62024581
7-bromo-1-pentylindole-2,3-dione
CID 61356330
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The IUPAC name of 7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione (CID 60711537) is 7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The canonical SMILES for 7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione is O=C1C(=O)N(CC(=O)N2CCCC2)c2c(Br)cccc21.
What is the InChIKey of 7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The InChIKey is CKIJWMPKANQNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-10-5-3-4-9-12(10)17(14(20)13(9)19)8-11(18)16-6-1-2-7-16/h3-5H,1-2,6-8H2.
What are the key properties of 7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione?
7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione has a molecular weight of 337.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione is sourced from PubChem (CID 60711537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).