indol-2-imine

C8H6N2 — CID 22452072

IUPACindol-2-imine
SMILES[H]/N=C1/C=c2ccccc2=N1
InChIInChI=1S/C8H6N2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,9H/b9-8-
InChIKeyMLAXVEHWMLUSFO-HJWRWDBZSA-N
MW130.15 g/mol
LogP0.08
Rot. Bonds

About indol-2-imine

indol-2-imine (PubChem CID 22452072) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is indol-2-imine.

Molecular Properties

Compound Nameindol-2-imine
PubChem CID22452072
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Nameindol-2-imine
SMILES[H]/N=C1/C=c2ccccc2=N1
InChIInChI=1S/C8H6N2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,9H/b9-8-
InChIKeyMLAXVEHWMLUSFO-HJWRWDBZSA-N
XLogP0.08
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of indol-2-imine?
The IUPAC name of indol-2-imine (CID 22452072) is indol-2-imine.
What is the SMILES notation for indol-2-imine?
The canonical SMILES for indol-2-imine is [H]/N=C1/C=c2ccccc2=N1.
What is the InChIKey of indol-2-imine?
The InChIKey is MLAXVEHWMLUSFO-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H6N2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,9H/b9-8-.
What are the key properties of indol-2-imine?
indol-2-imine has a molecular weight of 130.15 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for indol-2-imine is sourced from PubChem (CID 22452072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).