13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol

C16H19NO — CID 89064920

IUPAC13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol
SMILESCC1CC2(C)CN2c2cccccccc(O)c21
InChIInChI=1S/C16H19NO/c1-12-10-16(2)11-17(16)13-8-6-4-3-5-7-9-14(18)15(12)13/h3-9,12,18H,10-11H2,1-2H3/b4-3-,5-3-,6-4+,7-5-,8-6+,9-7+,13-8+,14-9-,15-14+
InChIKeyBVSAFKVWFVVVTQ-FDMQHSTASA-N
MW241.33 g/mol
LogP3.60
Rot. Bonds

About 13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol

13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol (PubChem CID 89064920) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol.

Molecular Properties

Compound Name13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol
PubChem CID89064920
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol
SMILESCC1CC2(C)CN2c2cccccccc(O)c21
InChIInChI=1S/C16H19NO/c1-12-10-16(2)11-17(16)13-8-6-4-3-5-7-9-14(18)15(12)13/h3-9,12,18H,10-11H2,1-2H3/b4-3-,5-3-,6-4+,7-5-,8-6+,9-7+,13-8+,14-9-,15-14+
InChIKeyBVSAFKVWFVVVTQ-FDMQHSTASA-N
XLogP3.60
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol?
The IUPAC name of 13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol (CID 89064920) is 13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol.
What is the SMILES notation for 13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol?
The canonical SMILES for 13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol is CC1CC2(C)CN2c2cccccccc(O)c21.
What is the InChIKey of 13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol?
The InChIKey is BVSAFKVWFVVVTQ-FDMQHSTASA-N. The full InChI is InChI=1S/C16H19NO/c1-12-10-16(2)11-17(16)13-8-6-4-3-5-7-9-14(18)15(12)13/h3-9,12,18H,10-11H2,1-2H3/b4-3-,5-3-,6-4+,7-5-,8-6+,9-7+,13-8+,14-9-,15-14+.
What are the key properties of 13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol?
13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol has a molecular weight of 241.33 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,15-dimethyl-11-azatricyclo[8.5.0.011,13]pentadeca-1(10),2,4,6,8-pentaen-2-ol is sourced from PubChem (CID 89064920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).