5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one

C14H17N3O2 — CID 116851314

IUPAC5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one
SMILESNC(C(=O)N1CCCC1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H17N3O2/c15-13(14(19)17-5-1-2-6-17)9-3-4-11-10(7-9)8-12(18)16-11/h3-4,7,13H,1-2,5-6,8,15H2,(H,16,18)
InChIKeyFJWLDMTVQUWECF-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.80
Rot. Bonds2

About 5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one

5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one (PubChem CID 116851314) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one
PubChem CID116851314
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one
SMILESNC(C(=O)N1CCCC1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H17N3O2/c15-13(14(19)17-5-1-2-6-17)9-3-4-11-10(7-9)8-12(18)16-11/h3-4,7,13H,1-2,5-6,8,15H2,(H,16,18)
InChIKeyFJWLDMTVQUWECF-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one (CID 116851314) is 5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one is NC(C(=O)N1CCCC1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one?
The InChIKey is FJWLDMTVQUWECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-13(14(19)17-5-1-2-6-17)9-3-4-11-10(7-9)8-12(18)16-11/h3-4,7,13H,1-2,5-6,8,15H2,(H,16,18).
What are the key properties of 5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one?
5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116851314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).