1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone

C10H8N2O3 — CID 135441590

IUPAC1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone
SMILESCC(=O)n1c(O)c(N=O)c2ccccc21
InChIInChI=1S/C10H8N2O3/c1-6(13)12-8-5-3-2-4-7(8)9(11-15)10(12)14/h2-5,14H,1H3
InChIKeyQEULCJFWRXWIBZ-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.40
Rot. Bonds1

About 1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone

1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone (PubChem CID 135441590) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone
PubChem CID135441590
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone
SMILESCC(=O)n1c(O)c(N=O)c2ccccc21
InChIInChI=1S/C10H8N2O3/c1-6(13)12-8-5-3-2-4-7(8)9(11-15)10(12)14/h2-5,14H,1H3
InChIKeyQEULCJFWRXWIBZ-UHFFFAOYSA-N
XLogP2.40
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone (CID 135441590) is 1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone is CC(=O)n1c(O)c(N=O)c2ccccc21.
What is the InChIKey of 1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone?
The InChIKey is QEULCJFWRXWIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6(13)12-8-5-3-2-4-7(8)9(11-15)10(12)14/h2-5,14H,1H3.
What are the key properties of 1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone?
1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone has a molecular weight of 204.19 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-nitrosoindol-1-yl)ethanone is sourced from PubChem (CID 135441590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).