(3R)-2-amino-1,3-dimethylindol-1-ium-3-ol

C10H13N2O+ — CID 7224947

IUPAC(3R)-2-amino-1,3-dimethylindol-1-ium-3-ol
SMILESC[N+]1=C(N)[C@](C)(O)c2ccccc21
InChIInChI=1S/C10H12N2O/c1-10(13)7-5-3-4-6-8(7)12(2)9(10)11/h3-6,11,13H,1-2H3/p+1/t10-/m1/s1
InChIKeyHHZOZABBHNCTBU-SNVBAGLBSA-O
MW177.23 g/mol
LogP0.54
Rot. Bonds

About (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol

(3R)-2-amino-1,3-dimethylindol-1-ium-3-ol (PubChem CID 7224947) has the molecular formula C10H13N2O+ and a molecular weight of 177.23 g/mol. Its IUPAC name is (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol.

Molecular Properties

Compound Name(3R)-2-amino-1,3-dimethylindol-1-ium-3-ol
PubChem CID7224947
Molecular FormulaC10H13N2O+
Molecular Weight177.23 g/mol
Exact Mass177.10
IUPAC Name(3R)-2-amino-1,3-dimethylindol-1-ium-3-ol
SMILESC[N+]1=C(N)[C@](C)(O)c2ccccc21
InChIInChI=1S/C10H12N2O/c1-10(13)7-5-3-4-6-8(7)12(2)9(10)11/h3-6,11,13H,1-2H3/p+1/t10-/m1/s1
InChIKeyHHZOZABBHNCTBU-SNVBAGLBSA-O
XLogP0.54
TPSA49.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol?
The IUPAC name of (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol (CID 7224947) is (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol.
What is the SMILES notation for (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol?
The canonical SMILES for (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol is C[N+]1=C(N)[C@](C)(O)c2ccccc21.
What is the InChIKey of (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol?
The InChIKey is HHZOZABBHNCTBU-SNVBAGLBSA-O. 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/p+1/t10-/m1/s1.
What are the key properties of (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol?
(3R)-2-amino-1,3-dimethylindol-1-ium-3-ol has a molecular weight of 177.23 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-amino-1,3-dimethylindol-1-ium-3-ol is sourced from PubChem (CID 7224947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).