7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol

C13H17NO2 — CID 122580532

IUPAC7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol
SMILESCc1c(O)c2c3c(c1O)CCCN3CCC2
InChIInChI=1S/C13H17NO2/c1-8-12(15)9-4-2-6-14-7-3-5-10(11(9)14)13(8)16/h15-16H,2-7H2,1H3
InChIKeyNPVZBJZOYRLAIC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.11
Rot. Bonds

About 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol

7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol (PubChem CID 122580532) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol.

Molecular Properties

Compound Name7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol
PubChem CID122580532
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol
SMILESCc1c(O)c2c3c(c1O)CCCN3CCC2
InChIInChI=1S/C13H17NO2/c1-8-12(15)9-4-2-6-14-7-3-5-10(11(9)14)13(8)16/h15-16H,2-7H2,1H3
InChIKeyNPVZBJZOYRLAIC-UHFFFAOYSA-N
XLogP2.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 21029067
6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 150976400
2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol
CID 145054813
4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-2,3,5-triol
CID 91575752
1-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-2,2-dimethylpropan-1-one
CID 169026628
ethyl 6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carboxylate
CID 170871983
7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 146667407
2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)acetonitrile
CID 84792249
3-amino-3-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)propanoic acid
CID 170872566
1,3-bis[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)methylideneamino]thiourea
CID 137119435
7-[(6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 146243252
6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 138981773

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol?
The IUPAC name of 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol (CID 122580532) is 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol.
What is the SMILES notation for 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol?
The canonical SMILES for 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol is Cc1c(O)c2c3c(c1O)CCCN3CCC2.
What is the InChIKey of 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol?
The InChIKey is NPVZBJZOYRLAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-12(15)9-4-2-6-14-7-3-5-10(11(9)14)13(8)16/h15-16H,2-7H2,1H3.
What are the key properties of 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol?
7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol has a molecular weight of 219.28 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diol is sourced from PubChem (CID 122580532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).