3-(aminooxymethyl)-1-propan-2-ylindol-7-ol

C12H16N2O2 — CID 117197927

IUPAC3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
SMILESCC(C)n1cc(CON)c2cccc(O)c21
InChIInChI=1S/C12H16N2O2/c1-8(2)14-6-9(7-16-13)10-4-3-5-11(15)12(10)14/h3-6,8,15H,7,13H2,1-2H3
InChIKeyDMDBCYKUFZOBJT-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds3

About 3-(aminooxymethyl)-1-propan-2-ylindol-7-ol

3-(aminooxymethyl)-1-propan-2-ylindol-7-ol (PubChem CID 117197927) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(aminooxymethyl)-1-propan-2-ylindol-7-ol.

Molecular Properties

Compound Name3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
PubChem CID117197927
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
SMILESCC(C)n1cc(CON)c2cccc(O)c21
InChIInChI=1S/C12H16N2O2/c1-8(2)14-6-9(7-16-13)10-4-3-5-11(15)12(10)14/h3-6,8,15H,7,13H2,1-2H3
InChIKeyDMDBCYKUFZOBJT-UHFFFAOYSA-N
XLogP2.32
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
CID 117182559
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430
3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
CID 117186336
7-bromo-3-(ethoxymethyl)-1-propan-2-ylindole
CID 117182588
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197935
O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117196322
3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
CID 117186325
2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol
CID 117197647
2-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197178
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
CID 117182193

Frequently Asked Questions

What is the IUPAC name of 3-(aminooxymethyl)-1-propan-2-ylindol-7-ol?
The IUPAC name of 3-(aminooxymethyl)-1-propan-2-ylindol-7-ol (CID 117197927) is 3-(aminooxymethyl)-1-propan-2-ylindol-7-ol.
What is the SMILES notation for 3-(aminooxymethyl)-1-propan-2-ylindol-7-ol?
The canonical SMILES for 3-(aminooxymethyl)-1-propan-2-ylindol-7-ol is CC(C)n1cc(CON)c2cccc(O)c21.
What is the InChIKey of 3-(aminooxymethyl)-1-propan-2-ylindol-7-ol?
The InChIKey is DMDBCYKUFZOBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)14-6-9(7-16-13)10-4-3-5-11(15)12(10)14/h3-6,8,15H,7,13H2,1-2H3.
What are the key properties of 3-(aminooxymethyl)-1-propan-2-ylindol-7-ol?
3-(aminooxymethyl)-1-propan-2-ylindol-7-ol has a molecular weight of 220.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminooxymethyl)-1-propan-2-ylindol-7-ol is sourced from PubChem (CID 117197927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).