3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride

C12H12ClFN2O2 — CID 175399061

IUPAC3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride
SMILESCl.NC/C(=C\F)COC1=c2ccccc2=NC1=O
InChIInChI=1S/C12H11FN2O2.ClH/c13-5-8(6-14)7-17-11-9-3-1-2-4-10(9)15-12(11)16;/h1-5H,6-7,14H2;1H/b8-5+;
InChIKeyYDXQVYLELLIMSY-HAAWTFQLSA-N
MW270.69 g/mol
LogP0.21
Rot. Bonds4

About 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride

3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride (PubChem CID 175399061) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride
PubChem CID175399061
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride
SMILESCl.NC/C(=C\F)COC1=c2ccccc2=NC1=O
InChIInChI=1S/C12H11FN2O2.ClH/c13-5-8(6-14)7-17-11-9-3-1-2-4-10(9)15-12(11)16;/h1-5H,6-7,14H2;1H/b8-5+;
InChIKeyYDXQVYLELLIMSY-HAAWTFQLSA-N
XLogP0.21
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride?
The IUPAC name of 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride (CID 175399061) is 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride.
What is the SMILES notation for 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride?
The canonical SMILES for 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride is Cl.NC/C(=C\F)COC1=c2ccccc2=NC1=O.
What is the InChIKey of 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride?
The InChIKey is YDXQVYLELLIMSY-HAAWTFQLSA-N. The full InChI is InChI=1S/C12H11FN2O2.ClH/c13-5-8(6-14)7-17-11-9-3-1-2-4-10(9)15-12(11)16;/h1-5H,6-7,14H2;1H/b8-5+;.
What are the key properties of 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride?
3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride has a molecular weight of 270.69 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]indol-2-one;hydrochloride is sourced from PubChem (CID 175399061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).