2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide

C10H13BrN2O — CID 75485475

IUPAC2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide
SMILESBr.NCCN1Cc2ccccc2C1=O
InChIInChI=1S/C10H12N2O.BrH/c11-5-6-12-7-8-3-1-2-4-9(8)10(12)13;/h1-4H,5-7,11H2;1H
InChIKeyHNFVLLVQLAPPBA-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.18
Rot. Bonds2

About 2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide

2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide (PubChem CID 75485475) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide.

Molecular Properties

Compound Name2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide
PubChem CID75485475
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide
SMILESBr.NCCN1Cc2ccccc2C1=O
InChIInChI=1S/C10H12N2O.BrH/c11-5-6-12-7-8-3-1-2-4-9(8)10(12)13;/h1-4H,5-7,11H2;1H
InChIKeyHNFVLLVQLAPPBA-UHFFFAOYSA-N
XLogP1.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide?
The IUPAC name of 2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide (CID 75485475) is 2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide.
What is the SMILES notation for 2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide?
The canonical SMILES for 2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide is Br.NCCN1Cc2ccccc2C1=O.
What is the InChIKey of 2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide?
The InChIKey is HNFVLLVQLAPPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.BrH/c11-5-6-12-7-8-3-1-2-4-9(8)10(12)13;/h1-4H,5-7,11H2;1H.
What are the key properties of 2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide?
2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide has a molecular weight of 257.13 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide is sourced from PubChem (CID 75485475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).