O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine

C10H14N2O — CID 117204086

IUPACO-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine
SMILESCC1CNc2c(CON)cccc21
InChIInChI=1S/C10H14N2O/c1-7-5-12-10-8(6-13-11)3-2-4-9(7)10/h2-4,7,12H,5-6,11H2,1H3
InChIKeyPEBWEGWJIUYPQJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.61
Rot. Bonds2

About O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine

O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine (PubChem CID 117204086) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine
PubChem CID117204086
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameO-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine
SMILESCC1CNc2c(CON)cccc21
InChIInChI=1S/C10H14N2O/c1-7-5-12-10-8(6-13-11)3-2-4-9(7)10/h2-4,7,12H,5-6,11H2,1H3
InChIKeyPEBWEGWJIUYPQJ-UHFFFAOYSA-N
XLogP1.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
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-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine?
The IUPAC name of O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine (CID 117204086) is O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine is CC1CNc2c(CON)cccc21.
What is the InChIKey of O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine?
The InChIKey is PEBWEGWJIUYPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-5-12-10-8(6-13-11)3-2-4-9(7)10/h2-4,7,12H,5-6,11H2,1H3.
What are the key properties of O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine?
O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine has a molecular weight of 178.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine is sourced from PubChem (CID 117204086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).