1-(5-nitroindol-1-yl)ethanol

C10H10N2O3 — CID 141070113

IUPAC1-(5-nitroindol-1-yl)ethanol
SMILESCC(O)n1ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-7,13H,1H3
InChIKeyZTGJBDOFKRFPDY-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.06
Rot. Bonds2

About 1-(5-nitroindol-1-yl)ethanol

1-(5-nitroindol-1-yl)ethanol (PubChem CID 141070113) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-(5-nitroindol-1-yl)ethanol.

Molecular Properties

Compound Name1-(5-nitroindol-1-yl)ethanol
PubChem CID141070113
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-(5-nitroindol-1-yl)ethanol
SMILESCC(O)n1ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-7,13H,1H3
InChIKeyZTGJBDOFKRFPDY-UHFFFAOYSA-N
XLogP2.06
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-nitro-1-propan-2-ylindole
CID 143287721
2-(5-nitroindol-1-yl)propanoic acid
CID 60756249
2-(5-nitroindol-1-yl)propyl acetate
CID 174507560
1-(5-nitroindol-1-yl)propan-2-ol
CID 116619106
5-nitroindol-1-amine
CID 10583430
2-(6-nitroindol-1-yl)propanoic acid
CID 60765771
2-(5-nitroindol-1-yl)-4-phenylbutanoic acid
CID 174549983
trimethyl-(5-nitroindol-1-yl)silane
CID 553560
ethyl 3-(5-nitroindol-1-yl)hexanoate
CID 67427314
(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol
CID 676758
1-(2-methylprop-2-enyl)-5-nitroindole
CID 116619158
N-methyl-2-(5-nitroindol-1-yl)acetamide
CID 47460620

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitroindol-1-yl)ethanol?
The IUPAC name of 1-(5-nitroindol-1-yl)ethanol (CID 141070113) is 1-(5-nitroindol-1-yl)ethanol.
What is the SMILES notation for 1-(5-nitroindol-1-yl)ethanol?
The canonical SMILES for 1-(5-nitroindol-1-yl)ethanol is CC(O)n1ccc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-(5-nitroindol-1-yl)ethanol?
The InChIKey is ZTGJBDOFKRFPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-7,13H,1H3.
What are the key properties of 1-(5-nitroindol-1-yl)ethanol?
1-(5-nitroindol-1-yl)ethanol has a molecular weight of 206.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitroindol-1-yl)ethanol is sourced from PubChem (CID 141070113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).