4-amino-3-methyl-1H-indol-7-ol

C9H10N2O — CID 82415317

IUPAC4-amino-3-methyl-1H-indol-7-ol
SMILESCc1c[nH]c2c(O)ccc(N)c12
InChIInChI=1S/C9H10N2O/c1-5-4-11-9-7(12)3-2-6(10)8(5)9/h2-4,11-12H,10H2,1H3
InChIKeyZLJHDYWGTFXZGO-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.76
Rot. Bonds

About 4-amino-3-methyl-1H-indol-7-ol

4-amino-3-methyl-1H-indol-7-ol (PubChem CID 82415317) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-amino-3-methyl-1H-indol-7-ol.

Molecular Properties

Compound Name4-amino-3-methyl-1H-indol-7-ol
PubChem CID82415317
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-amino-3-methyl-1H-indol-7-ol
SMILESCc1c[nH]c2c(O)ccc(N)c12
InChIInChI=1S/C9H10N2O/c1-5-4-11-9-7(12)3-2-6(10)8(5)9/h2-4,11-12H,10H2,1H3
InChIKeyZLJHDYWGTFXZGO-UHFFFAOYSA-N
XLogP1.76
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1H-indol-7-ol?
The IUPAC name of 4-amino-3-methyl-1H-indol-7-ol (CID 82415317) is 4-amino-3-methyl-1H-indol-7-ol.
What is the SMILES notation for 4-amino-3-methyl-1H-indol-7-ol?
The canonical SMILES for 4-amino-3-methyl-1H-indol-7-ol is Cc1c[nH]c2c(O)ccc(N)c12.
What is the InChIKey of 4-amino-3-methyl-1H-indol-7-ol?
The InChIKey is ZLJHDYWGTFXZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-5-4-11-9-7(12)3-2-6(10)8(5)9/h2-4,11-12H,10H2,1H3.
What are the key properties of 4-amino-3-methyl-1H-indol-7-ol?
4-amino-3-methyl-1H-indol-7-ol has a molecular weight of 162.19 g/mol, XLogP of 1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1H-indol-7-ol is sourced from PubChem (CID 82415317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).