O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine

C11H14N2O — CID 117281978

IUPACO-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine
SMILESCc1[nH]c2ccc(CON)cc2c1C
InChIInChI=1S/C11H14N2O/c1-7-8(2)13-11-4-3-9(6-14-12)5-10(7)11/h3-5,13H,6,12H2,1-2H3
InChIKeyUIOCMXHUTSVRJS-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.18
Rot. Bonds2

About O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine

O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine (PubChem CID 117281978) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine
PubChem CID117281978
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameO-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine
SMILESCc1[nH]c2ccc(CON)cc2c1C
InChIInChI=1S/C11H14N2O/c1-7-8(2)13-11-4-3-9(6-14-12)5-10(7)11/h3-5,13H,6,12H2,1-2H3
InChIKeyUIOCMXHUTSVRJS-UHFFFAOYSA-N
XLogP2.18
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
CID 115006304
2-(2,3-dimethyl-1H-indol-5-yl)ethanethiol
CID 116996346
methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate
CID 45252183
N-[(2,3-dimethyl-1H-indol-5-yl)methyl-tritioamino]thiohydroxylamine
CID 129175801
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
2,3,5-trimethyl-1H-indole;vanadium
CID 159816698
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023
O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine
CID 117204984
(2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide
CID 95586075
2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide
CID 48561239
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970551

Frequently Asked Questions

What is the IUPAC name of O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine (CID 117281978) is O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine is Cc1[nH]c2ccc(CON)cc2c1C.
What is the InChIKey of O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine?
The InChIKey is UIOCMXHUTSVRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-8(2)13-11-4-3-9(6-14-12)5-10(7)11/h3-5,13H,6,12H2,1-2H3.
What are the key properties of O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine?
O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine has a molecular weight of 190.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 117281978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).