7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol

C13H19NO2 — CID 163418325

IUPAC7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol
SMILESOCC1=CC2=C3C(CCCN3CCC2)C1O
InChIInChI=1S/C13H19NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7,11,13,15-16H,1-6,8H2
InChIKeyAGIIHOBRDOIJFQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.04
Rot. Bonds1

About 7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol

7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol (PubChem CID 163418325) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol
PubChem CID163418325
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol
SMILESOCC1=CC2=C3C(CCCN3CCC2)C1O
InChIInChI=1S/C13H19NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7,11,13,15-16H,1-6,8H2
InChIKeyAGIIHOBRDOIJFQ-UHFFFAOYSA-N
XLogP1.04
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

n-Propyl-6-hydroxy-octahydrobenzo(g)quinoline
CID 129668328
(4aR)-1-prop-2-enyl-3,4,4a,5,5a,6-hexahydro-2H-benzo[g]quinoline-6,7-diol;hydrobromide
CID 68947286
(2S,3R,11bS)-9,10-bis(hydroxymethyl)-3-(2-methylpropyl)-2,3,4,6,7,10,11,11b-octahydro-1H-benzo[a]quinolizin-2-ol
CID 71063244
1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol
CID 150112405
(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
CID 154386511
(4aR)-1-prop-2-enyl-3,4,4a,5,5a,6-hexahydro-2H-benzo[g]quinoline-6,7-diol
CID 68947287

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol?
The IUPAC name of 7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol (CID 163418325) is 7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol.
What is the SMILES notation for 7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol?
The canonical SMILES for 7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol is OCC1=CC2=C3C(CCCN3CCC2)C1O.
What is the InChIKey of 7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol?
The InChIKey is AGIIHOBRDOIJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7,11,13,15-16H,1-6,8H2.
What are the key properties of 7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol?
7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol has a molecular weight of 221.30 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol is sourced from PubChem (CID 163418325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).