2-imino-1,3-dimethylindol-3-ol

C10H12N2O — CID 3656896

IUPAC2-imino-1,3-dimethylindol-3-ol
SMILES[H]/N=C1\N(C)c2ccccc2C1(C)O
InChIInChI=1S/C10H12N2O/c1-10(13)7-5-3-4-6-8(7)12(2)9(10)11/h3-6,11,13H,1-2H3/b11-9-
InChIKeyHHZOZABBHNCTBU-LUAWRHEFSA-N
MW176.22 g/mol
LogP1.32
Rot. Bonds

About 2-imino-1,3-dimethylindol-3-ol

2-imino-1,3-dimethylindol-3-ol (PubChem CID 3656896) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-imino-1,3-dimethylindol-3-ol.

Molecular Properties

Compound Name2-imino-1,3-dimethylindol-3-ol
PubChem CID3656896
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-imino-1,3-dimethylindol-3-ol
SMILES[H]/N=C1\N(C)c2ccccc2C1(C)O
InChIInChI=1S/C10H12N2O/c1-10(13)7-5-3-4-6-8(7)12(2)9(10)11/h3-6,11,13H,1-2H3/b11-9-
InChIKeyHHZOZABBHNCTBU-LUAWRHEFSA-N
XLogP1.32
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-imino-1,3-dimethylindol-3-ol?
The IUPAC name of 2-imino-1,3-dimethylindol-3-ol (CID 3656896) is 2-imino-1,3-dimethylindol-3-ol.
What is the SMILES notation for 2-imino-1,3-dimethylindol-3-ol?
The canonical SMILES for 2-imino-1,3-dimethylindol-3-ol is [H]/N=C1\N(C)c2ccccc2C1(C)O.
What is the InChIKey of 2-imino-1,3-dimethylindol-3-ol?
The InChIKey is HHZOZABBHNCTBU-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(13)7-5-3-4-6-8(7)12(2)9(10)11/h3-6,11,13H,1-2H3/b11-9-.
What are the key properties of 2-imino-1,3-dimethylindol-3-ol?
2-imino-1,3-dimethylindol-3-ol has a molecular weight of 176.22 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1,3-dimethylindol-3-ol is sourced from PubChem (CID 3656896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).