1-(5-nitro-1H-indol-3-yl)propan-2-ol

C11H12N2O3 — CID 11218277

IUPAC1-(5-nitro-1H-indol-3-yl)propan-2-ol
SMILESCC(O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H12N2O3/c1-7(14)4-8-6-12-11-3-2-9(13(15)16)5-10(8)11/h2-3,5-7,12,14H,4H2,1H3
InChIKeyJXCLRIJHKXOAGN-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.00
Rot. Bonds3

About 1-(5-nitro-1H-indol-3-yl)propan-2-ol

1-(5-nitro-1H-indol-3-yl)propan-2-ol (PubChem CID 11218277) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(5-nitro-1H-indol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-nitro-1H-indol-3-yl)propan-2-ol
PubChem CID11218277
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-(5-nitro-1H-indol-3-yl)propan-2-ol
SMILESCC(O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H12N2O3/c1-7(14)4-8-6-12-11-3-2-9(13(15)16)5-10(8)11/h2-3,5-7,12,14H,4H2,1H3
InChIKeyJXCLRIJHKXOAGN-UHFFFAOYSA-N
XLogP2.00
TPSA79.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CID 18882
3-(2-azidoethyl)-5-nitro-1H-indole
CID 123550245
1-(2-fluoro-4-nitrophenyl)propan-2-ol
CID 63201423
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide
CID 110000935
methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 158561072
1-[4-nitro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 55161824
5-nitro-1H-indole-3-sulfinic acid
CID 165454900
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493
3-[(6-nitro-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
CID 166517326
3-[(5-methoxy-1H-indol-3-yl)methyl]-6-nitro-1H-indole
CID 166517333
(E)-N-(2,4-dinitrophenoxy)-4-(1H-indol-3-yl)-3-methylbutan-2-imine
CID 15473987
1-[2-amino-3-(5-nitro-1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonitrile
CID 68940086

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-1H-indol-3-yl)propan-2-ol?
The IUPAC name of 1-(5-nitro-1H-indol-3-yl)propan-2-ol (CID 11218277) is 1-(5-nitro-1H-indol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(5-nitro-1H-indol-3-yl)propan-2-ol?
The canonical SMILES for 1-(5-nitro-1H-indol-3-yl)propan-2-ol is CC(O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 1-(5-nitro-1H-indol-3-yl)propan-2-ol?
The InChIKey is JXCLRIJHKXOAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(14)4-8-6-12-11-3-2-9(13(15)16)5-10(8)11/h2-3,5-7,12,14H,4H2,1H3.
What are the key properties of 1-(5-nitro-1H-indol-3-yl)propan-2-ol?
1-(5-nitro-1H-indol-3-yl)propan-2-ol has a molecular weight of 220.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-1H-indol-3-yl)propan-2-ol is sourced from PubChem (CID 11218277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).