[7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol

C10H14N2O — CID 112712222

IUPAC[7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
SMILESNCC1=CC=CC2C=C(CO)NC12
InChIInChI=1S/C10H14N2O/c11-5-8-3-1-2-7-4-9(6-13)12-10(7)8/h1-4,7,10,12-13H,5-6,11H2
InChIKeyZFDUWFGEKRREKF-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.09
Rot. Bonds2

About [7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol

[7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol (PubChem CID 112712222) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is [7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
PubChem CID112712222
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name[7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
SMILESNCC1=CC=CC2C=C(CO)NC12
InChIInChI=1S/C10H14N2O/c11-5-8-3-1-2-7-4-9(6-13)12-10(7)8/h1-4,7,10,12-13H,5-6,11H2
InChIKeyZFDUWFGEKRREKF-UHFFFAOYSA-N
XLogP-0.09
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The IUPAC name of [7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol (CID 112712222) is [7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol.
What is the SMILES notation for [7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The canonical SMILES for [7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol is NCC1=CC=CC2C=C(CO)NC12.
What is the InChIKey of [7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
The InChIKey is ZFDUWFGEKRREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-5-8-3-1-2-7-4-9(6-13)12-10(7)8/h1-4,7,10,12-13H,5-6,11H2.
What are the key properties of [7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol?
[7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol has a molecular weight of 178.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(aminomethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol is sourced from PubChem (CID 112712222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).