3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride

C9H8ClFN2O — CID 71463740

IUPAC3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride
SMILESCl.NCC1=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C9H7FN2O.ClH/c10-5-1-2-8-6(3-5)7(4-11)9(13)12-8;/h1-3H,4,11H2;1H
InChIKeyWGHBLMKNYLOIDT-UHFFFAOYSA-N
MW214.63 g/mol
LogP-0.48
Rot. Bonds1

About 3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride

3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride (PubChem CID 71463740) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride
PubChem CID71463740
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC Name3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride
SMILESCl.NCC1=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C9H7FN2O.ClH/c10-5-1-2-8-6(3-5)7(4-11)9(13)12-8;/h1-3H,4,11H2;1H
InChIKeyWGHBLMKNYLOIDT-UHFFFAOYSA-N
XLogP-0.48
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxotryptamine
CID 86769186
3-fluoro-2H-quinoline-3-carboxamide
CID 163446550
2-Oxotryptamine hydrochloride
CID 86769185
3-(Aminomethyl)-5-fluoroindol-2-one
CID 71463741
5-fluoro-2H-indole-3-carboxamide
CID 124517537
2-Oxoindole-3-carboxamide
CID 117632218
2H-indole-3-carboxamide
CID 124518031
3-(Aminomethyl)indol-2-one;hydrochloride
CID 156702017
5-(2-Aminoethyl)indol-2-one
CID 164545032
6-(2-Aminoethyl)indol-2-one
CID 170557930
5-(1-Aminoethyl)indol-2-one
CID 177932160
3-(aminomethyl)-7-fluoro-3H-quinolin-2-one;hydrochloride
CID 137698478

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride (CID 71463740) is 3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride is Cl.NCC1=c2cc(F)ccc2=NC1=O.
What is the InChIKey of 3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride?
The InChIKey is WGHBLMKNYLOIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O.ClH/c10-5-1-2-8-6(3-5)7(4-11)9(13)12-8;/h1-3H,4,11H2;1H.
What are the key properties of 3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride?
3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride has a molecular weight of 214.63 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoroindol-2-one;hydrochloride is sourced from PubChem (CID 71463740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).