O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine

C10H13FN2O — CID 117199932

IUPACO-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
SMILESCN1CC(CON)c2c(F)cccc21
InChIInChI=1S/C10H13FN2O/c1-13-5-7(6-14-12)10-8(11)3-2-4-9(10)13/h2-4,7H,5-6,12H2,1H3
InChIKeyLDORKLHQZODKGY-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.25
Rot. Bonds2

About O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine

O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine (PubChem CID 117199932) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
PubChem CID117199932
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC NameO-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
SMILESCN1CC(CON)c2c(F)cccc21
InChIInChI=1S/C10H13FN2O/c1-13-5-7(6-14-12)10-8(11)3-2-4-9(10)13/h2-4,7H,5-6,12H2,1H3
InChIKeyLDORKLHQZODKGY-UHFFFAOYSA-N
XLogP1.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine (CID 117199932) is O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine is CN1CC(CON)c2c(F)cccc21.
What is the InChIKey of O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine?
The InChIKey is LDORKLHQZODKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-13-5-7(6-14-12)10-8(11)3-2-4-9(10)13/h2-4,7H,5-6,12H2,1H3.
What are the key properties of O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine?
O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine has a molecular weight of 196.22 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 117199932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).