1-methyl-3-nitrosoindol-2-ol

C9H8N2O2 — CID 18631

IUPAC1-methyl-3-nitrosoindol-2-ol
SMILESCn1c(O)c(N=O)c2ccccc21
InChIInChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-13)9(11)12/h2-5,12H,1H3
InChIKeyXTTZPTULXPKGIO-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.28
Rot. Bonds1

About 1-methyl-3-nitrosoindol-2-ol

1-methyl-3-nitrosoindol-2-ol (PubChem CID 18631) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-methyl-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-methyl-3-nitrosoindol-2-ol
PubChem CID18631
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name1-methyl-3-nitrosoindol-2-ol
SMILESCn1c(O)c(N=O)c2ccccc21
InChIInChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-13)9(11)12/h2-5,12H,1H3
InChIKeyXTTZPTULXPKGIO-UHFFFAOYSA-N
XLogP2.28
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-nitrosoindol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methisazone
CID 667492
Isatin-3-oxime
CID 69084
1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
2-Methyl-3-nitro-1-phenyl-1H-indol-6-ol
CID 792632
(E)-1-benzyl-3-(hydroxyimino)indolin-2-one
CID 921636
(3Z)-5-Methyl-1H-indole-2,3-dione 3-oxime
CID 583072
(3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime
CID 600593
1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
7-Fluoro-3-(hydroxyimino)indolin-2-one
CID 750687
(3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enylindol-2-one
CID 135857069
1-Allyl-5-methyl-1H-indole-2,3-dione 3-oxime
CID 794261
(E)-methyl 2-(1-(2-methoxy-2-oxoethyl)-2-oxoindolin-3-ylidene)hydrazinecarboxylate
CID 932258

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-nitrosoindol-2-ol?
The IUPAC name of 1-methyl-3-nitrosoindol-2-ol (CID 18631) is 1-methyl-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-methyl-3-nitrosoindol-2-ol?
The canonical SMILES for 1-methyl-3-nitrosoindol-2-ol is Cn1c(O)c(N=O)c2ccccc21.
What is the InChIKey of 1-methyl-3-nitrosoindol-2-ol?
The InChIKey is XTTZPTULXPKGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-13)9(11)12/h2-5,12H,1H3.
What are the key properties of 1-methyl-3-nitrosoindol-2-ol?
1-methyl-3-nitrosoindol-2-ol has a molecular weight of 176.17 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-nitrosoindol-2-ol is sourced from PubChem (CID 18631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).