4-amino-2-methyl-1H-indol-5-ol

C9H10N2O — CID 82415321

IUPAC4-amino-2-methyl-1H-indol-5-ol
SMILESCc1cc2c(N)c(O)ccc2[nH]1
InChIInChI=1S/C9H10N2O/c1-5-4-6-7(11-5)2-3-8(12)9(6)10/h2-4,11-12H,10H2,1H3
InChIKeyLGXCLBFKEBJDTG-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.76
Rot. Bonds

About 4-amino-2-methyl-1H-indol-5-ol

4-amino-2-methyl-1H-indol-5-ol (PubChem CID 82415321) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-amino-2-methyl-1H-indol-5-ol.

Molecular Properties

Compound Name4-amino-2-methyl-1H-indol-5-ol
PubChem CID82415321
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-amino-2-methyl-1H-indol-5-ol
SMILESCc1cc2c(N)c(O)ccc2[nH]1
InChIInChI=1S/C9H10N2O/c1-5-4-6-7(11-5)2-3-8(12)9(6)10/h2-4,11-12H,10H2,1H3
InChIKeyLGXCLBFKEBJDTG-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': 'catechol', 'substructure': 'N/A'}

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Related Compounds

acetic acid;5-chloro-2-methyl-1H-indol-4-amine
CID 174486240
4-fluoro-2-methyl-1H-indol-5-amine
CID 44558426
5-(aminomethyl)-2-methyl-1H-indol-4-ol
CID 82599148
5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol
CID 117357774
6-amino-2-methyl-1H-indol-5-ol
CID 18779326
8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 2754456
2-(4-fluoro-2-methyl-1H-indol-5-yl)-2-oxoacetic acid
CID 117315168
(4-chloro-2-methyl-1H-indol-5-yl)methanol
CID 84666570
4-iodoaniline;6-iodo-2-methyl-1H-quinolin-4-one
CID 68780891
2,4-dimethyl-1H-indole;ethane
CID 91303970
ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate
CID 11770383
2-methyl-1H-indole-4-carboxamide;hydrochloride
CID 175902728

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1H-indol-5-ol?
The IUPAC name of 4-amino-2-methyl-1H-indol-5-ol (CID 82415321) is 4-amino-2-methyl-1H-indol-5-ol.
What is the SMILES notation for 4-amino-2-methyl-1H-indol-5-ol?
The canonical SMILES for 4-amino-2-methyl-1H-indol-5-ol is Cc1cc2c(N)c(O)ccc2[nH]1.
What is the InChIKey of 4-amino-2-methyl-1H-indol-5-ol?
The InChIKey is LGXCLBFKEBJDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-5-4-6-7(11-5)2-3-8(12)9(6)10/h2-4,11-12H,10H2,1H3.
What are the key properties of 4-amino-2-methyl-1H-indol-5-ol?
4-amino-2-methyl-1H-indol-5-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-2-methyl-1H-indol-5-ol is sourced from PubChem (CID 82415321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).