7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol

C14H13NO — CID 28824

IUPAC7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
SMILESOC1c2ccccc2CCc2ncccc21
InChIInChI=1S/C14H13NO/c16-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-15-13/h1-6,9,14,16H,7-8H2
InChIKeyAAKDNSACNDXLSE-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.26
Rot. Bonds

About 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol

7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol (PubChem CID 28824) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol.

Molecular Properties

Compound Name7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
PubChem CID28824
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
SMILESOC1c2ccccc2CCc2ncccc21
InChIInChI=1S/C14H13NO/c16-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-15-13/h1-6,9,14,16H,7-8H2
InChIKeyAAKDNSACNDXLSE-UHFFFAOYSA-N
XLogP2.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
The IUPAC name of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol (CID 28824) is 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol.
What is the SMILES notation for 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
The canonical SMILES for 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol is OC1c2ccccc2CCc2ncccc21.
What is the InChIKey of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
The InChIKey is AAKDNSACNDXLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-15-13/h1-6,9,14,16H,7-8H2.
What are the key properties of 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol has a molecular weight of 211.26 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol is sourced from PubChem (CID 28824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).