(4-amino-1H-indol-7-yl)methanol

C9H10N2O — CID 123789224

IUPAC(4-amino-1H-indol-7-yl)methanol
SMILESNc1ccc(CO)c2[nH]ccc12
InChIInChI=1S/C9H10N2O/c10-8-2-1-6(5-12)9-7(8)3-4-11-9/h1-4,11-12H,5,10H2
InChIKeyZMYIFPJSZVJTGN-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.24
Rot. Bonds1

About (4-amino-1H-indol-7-yl)methanol

(4-amino-1H-indol-7-yl)methanol (PubChem CID 123789224) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (4-amino-1H-indol-7-yl)methanol.

Molecular Properties

Compound Name(4-amino-1H-indol-7-yl)methanol
PubChem CID123789224
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(4-amino-1H-indol-7-yl)methanol
SMILESNc1ccc(CO)c2[nH]ccc12
InChIInChI=1S/C9H10N2O/c10-8-2-1-6(5-12)9-7(8)3-4-11-9/h1-4,11-12H,5,10H2
InChIKeyZMYIFPJSZVJTGN-UHFFFAOYSA-N
XLogP1.24
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-prop-1-en-2-yl-1H-indol-7-yl)methanol
CID 142488652
(7-chloro-1H-indol-4-yl)methanol
CID 53399502
1H-indole-4,6,7-triamine
CID 57214260
7-nitro-1H-indol-4-amine
CID 83816689
5,7-diethyl-1H-indol-4-amine
CID 90089141
(5-aminonaphthalen-1-yl)methanol
CID 117275395
4-amino-2,3-dimethyl-1H-indole-7-carboxamide;4-amino-1H-indole-7-carboxamide;7-ethyl-1H-indol-4-amine;7-methyl-1H-indol-4-amine
CID 160626496
methyl 5-chloro-7-(hydroxymethyl)-1H-indole-4-carboxylate
CID 138958458
(7-chloro-1H-indol-4-yl)methanamine
CID 76846760
(3-chloro-1H-indol-7-yl)methanol
CID 84658243
2-(4,5-difluoro-1H-indol-7-yl)ethanol
CID 55266249
4-amino-1H-indole-7-carbonitrile;4-amino-1H-indole-7-carboxamide
CID 161183208

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-indol-7-yl)methanol?
The IUPAC name of (4-amino-1H-indol-7-yl)methanol (CID 123789224) is (4-amino-1H-indol-7-yl)methanol.
What is the SMILES notation for (4-amino-1H-indol-7-yl)methanol?
The canonical SMILES for (4-amino-1H-indol-7-yl)methanol is Nc1ccc(CO)c2[nH]ccc12.
What is the InChIKey of (4-amino-1H-indol-7-yl)methanol?
The InChIKey is ZMYIFPJSZVJTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-8-2-1-6(5-12)9-7(8)3-4-11-9/h1-4,11-12H,5,10H2.
What are the key properties of (4-amino-1H-indol-7-yl)methanol?
(4-amino-1H-indol-7-yl)methanol has a molecular weight of 162.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-indol-7-yl)methanol is sourced from PubChem (CID 123789224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).