indol-2-ylidene(methylimino)azanium

C9H8N3+ — CID 57084095

IUPACindol-2-ylidene(methylimino)azanium
SMILESCN=[N+]=C1C=c2ccccc2=N1
InChIInChI=1S/C9H8N3/c1-10-12-9-6-7-4-2-3-5-8(7)11-9/h2-6H,1H3/q+1
InChIKeyHGOIVZNTBCHZEL-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.21
Rot. Bonds

About indol-2-ylidene(methylimino)azanium

indol-2-ylidene(methylimino)azanium (PubChem CID 57084095) has the molecular formula C9H8N3+ and a molecular weight of 158.18 g/mol. Its IUPAC name is indol-2-ylidene(methylimino)azanium.

Molecular Properties

Compound Nameindol-2-ylidene(methylimino)azanium
PubChem CID57084095
Molecular FormulaC9H8N3+
Molecular Weight158.18 g/mol
Exact Mass158.07
IUPAC Nameindol-2-ylidene(methylimino)azanium
SMILESCN=[N+]=C1C=c2ccccc2=N1
InChIInChI=1S/C9H8N3/c1-10-12-9-6-7-4-2-3-5-8(7)11-9/h2-6H,1H3/q+1
InChIKeyHGOIVZNTBCHZEL-UHFFFAOYSA-N
XLogP-0.21
TPSA38.82 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Diazoindole
CID 54151415
2-Methylindol-2-ylium
CID 57054412
2,3-Dihydropyrrolo[2,3-b]indole
CID 129710235
4-Ethenyl-2,2-dimethylbenzimidazole
CID 20537676
3-methyl-2H-indole
CID 20767131
5-methyl-2H-benzimidazole
CID 22891152
Indol-2-ylidenecyanamide
CID 42635632
2-propan-2-yl-3aH-benzimidazole
CID 53400241
6-methyl-3aH-benzimidazole
CID 53400306
2-methyl-3aH-benzimidazole
CID 53400518
2-ethyl-3aH-benzimidazole
CID 53400607
5-methyl-3aH-benzimidazole
CID 53402968

Frequently Asked Questions

What is the IUPAC name of indol-2-ylidene(methylimino)azanium?
The IUPAC name of indol-2-ylidene(methylimino)azanium (CID 57084095) is indol-2-ylidene(methylimino)azanium.
What is the SMILES notation for indol-2-ylidene(methylimino)azanium?
The canonical SMILES for indol-2-ylidene(methylimino)azanium is CN=[N+]=C1C=c2ccccc2=N1.
What is the InChIKey of indol-2-ylidene(methylimino)azanium?
The InChIKey is HGOIVZNTBCHZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N3/c1-10-12-9-6-7-4-2-3-5-8(7)11-9/h2-6H,1H3/q+1.
What are the key properties of indol-2-ylidene(methylimino)azanium?
indol-2-ylidene(methylimino)azanium has a molecular weight of 158.18 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for indol-2-ylidene(methylimino)azanium is sourced from PubChem (CID 57084095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).