3-(aminomethyl)-5-methoxy-1H-indol-6-ol

C10H12N2O2 — CID 83877998

IUPAC3-(aminomethyl)-5-methoxy-1H-indol-6-ol
SMILESCOc1cc2c(CN)c[nH]c2cc1O
InChIInChI=1S/C10H12N2O2/c1-14-10-2-7-6(4-11)5-12-8(7)3-9(10)13/h2-3,5,12-13H,4,11H2,1H3
InChIKeyVSZWFPYBQMMQMS-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.34
Rot. Bonds2

About 3-(aminomethyl)-5-methoxy-1H-indol-6-ol

3-(aminomethyl)-5-methoxy-1H-indol-6-ol (PubChem CID 83877998) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methoxy-1H-indol-6-ol.

Molecular Properties

Compound Name3-(aminomethyl)-5-methoxy-1H-indol-6-ol
PubChem CID83877998
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-(aminomethyl)-5-methoxy-1H-indol-6-ol
SMILESCOc1cc2c(CN)c[nH]c2cc1O
InChIInChI=1S/C10H12N2O2/c1-14-10-2-7-6(4-11)5-12-8(7)3-9(10)13/h2-3,5,12-13H,4,11H2,1H3
InChIKeyVSZWFPYBQMMQMS-UHFFFAOYSA-N
XLogP1.34
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methoxy-1H-indol-6-ol?
The IUPAC name of 3-(aminomethyl)-5-methoxy-1H-indol-6-ol (CID 83877998) is 3-(aminomethyl)-5-methoxy-1H-indol-6-ol.
What is the SMILES notation for 3-(aminomethyl)-5-methoxy-1H-indol-6-ol?
The canonical SMILES for 3-(aminomethyl)-5-methoxy-1H-indol-6-ol is COc1cc2c(CN)c[nH]c2cc1O.
What is the InChIKey of 3-(aminomethyl)-5-methoxy-1H-indol-6-ol?
The InChIKey is VSZWFPYBQMMQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10-2-7-6(4-11)5-12-8(7)3-9(10)13/h2-3,5,12-13H,4,11H2,1H3.
What are the key properties of 3-(aminomethyl)-5-methoxy-1H-indol-6-ol?
3-(aminomethyl)-5-methoxy-1H-indol-6-ol has a molecular weight of 192.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methoxy-1H-indol-6-ol is sourced from PubChem (CID 83877998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).