(2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium

C10H9N2O+ — CID 10773517

IUPAC(2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium
SMILESC[N+]1=c2ccccc2=C/C1=C/N=O
InChIInChI=1S/C10H9N2O/c1-12-9(7-11-13)6-8-4-2-3-5-10(8)12/h2-7H,1H3/q+1
InChIKeyJWRWBWJGHZIELU-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.21
Rot. Bonds1

About (2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium

(2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium (PubChem CID 10773517) has the molecular formula C10H9N2O+ and a molecular weight of 173.19 g/mol. Its IUPAC name is (2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium.

Molecular Properties

Compound Name(2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium
PubChem CID10773517
Molecular FormulaC10H9N2O+
Molecular Weight173.19 g/mol
Exact Mass173.07
IUPAC Name(2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium
SMILESC[N+]1=c2ccccc2=C/C1=C/N=O
InChIInChI=1S/C10H9N2O/c1-12-9(7-11-13)6-8-4-2-3-5-10(8)12/h2-7H,1H3/q+1
InChIKeyJWRWBWJGHZIELU-UHFFFAOYSA-N
XLogP0.21
TPSA32.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium?
The IUPAC name of (2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium (CID 10773517) is (2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium.
What is the SMILES notation for (2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium?
The canonical SMILES for (2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium is C[N+]1=c2ccccc2=C/C1=C/N=O.
What is the InChIKey of (2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium?
The InChIKey is JWRWBWJGHZIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2O/c1-12-9(7-11-13)6-8-4-2-3-5-10(8)12/h2-7H,1H3/q+1.
What are the key properties of (2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium?
(2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium has a molecular weight of 173.19 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-methyl-2-(nitrosomethylidene)indol-1-ium is sourced from PubChem (CID 10773517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).