[7-(aminomethyl)-1H-indol-2-yl]methanol

C10H12N2O — CID 117183472

IUPAC[7-(aminomethyl)-1H-indol-2-yl]methanol
SMILESNCc1cccc2cc(CO)[nH]c12
InChIInChI=1S/C10H12N2O/c11-5-8-3-1-2-7-4-9(6-13)12-10(7)8/h1-4,12-13H,5-6,11H2
InChIKeySEUBFULQOHMETB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.12
Rot. Bonds2

About [7-(aminomethyl)-1H-indol-2-yl]methanol

[7-(aminomethyl)-1H-indol-2-yl]methanol (PubChem CID 117183472) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is [7-(aminomethyl)-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[7-(aminomethyl)-1H-indol-2-yl]methanol
PubChem CID117183472
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name[7-(aminomethyl)-1H-indol-2-yl]methanol
SMILESNCc1cccc2cc(CO)[nH]c12
InChIInChI=1S/C10H12N2O/c11-5-8-3-1-2-7-4-9(6-13)12-10(7)8/h1-4,12-13H,5-6,11H2
InChIKeySEUBFULQOHMETB-UHFFFAOYSA-N
XLogP1.12
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(aminomethyl)-1H-indol-2-yl]methanol?
The IUPAC name of [7-(aminomethyl)-1H-indol-2-yl]methanol (CID 117183472) is [7-(aminomethyl)-1H-indol-2-yl]methanol.
What is the SMILES notation for [7-(aminomethyl)-1H-indol-2-yl]methanol?
The canonical SMILES for [7-(aminomethyl)-1H-indol-2-yl]methanol is NCc1cccc2cc(CO)[nH]c12.
What is the InChIKey of [7-(aminomethyl)-1H-indol-2-yl]methanol?
The InChIKey is SEUBFULQOHMETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-5-8-3-1-2-7-4-9(6-13)12-10(7)8/h1-4,12-13H,5-6,11H2.
What are the key properties of [7-(aminomethyl)-1H-indol-2-yl]methanol?
[7-(aminomethyl)-1H-indol-2-yl]methanol has a molecular weight of 176.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(aminomethyl)-1H-indol-2-yl]methanol is sourced from PubChem (CID 117183472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).