5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one

C14H19N3O — CID 115119004

IUPAC5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one
SMILESNCCc1ccc2c(c1)CC(=O)N2C1CCNC1
InChIInChI=1S/C14H19N3O/c15-5-3-10-1-2-13-11(7-10)8-14(18)17(13)12-4-6-16-9-12/h1-2,7,12,16H,3-6,8-9,15H2
InChIKeyFSBRONVQGZACNS-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.44
Rot. Bonds3

About 5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one

5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one (PubChem CID 115119004) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one
PubChem CID115119004
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one
SMILESNCCc1ccc2c(c1)CC(=O)N2C1CCNC1
InChIInChI=1S/C14H19N3O/c15-5-3-10-1-2-13-11(7-10)8-14(18)17(13)12-4-6-16-9-12/h1-2,7,12,16H,3-6,8-9,15H2
InChIKeyFSBRONVQGZACNS-UHFFFAOYSA-N
XLogP0.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one (CID 115119004) is 5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one is NCCc1ccc2c(c1)CC(=O)N2C1CCNC1.
What is the InChIKey of 5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one?
The InChIKey is FSBRONVQGZACNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-5-3-10-1-2-13-11(7-10)8-14(18)17(13)12-4-6-16-9-12/h1-2,7,12,16H,3-6,8-9,15H2.
What are the key properties of 5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one?
5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one has a molecular weight of 245.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-pyrrolidin-3-yl-3H-indol-2-one is sourced from PubChem (CID 115119004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).