3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol

C18H23NO — CID 169005834

IUPAC3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
SMILESOC1CCCCCCCc2cccc(c2)C2=NC=C1C2
InChIInChI=1S/C18H23NO/c20-18-10-5-3-1-2-4-7-14-8-6-9-15(11-14)17-12-16(18)13-19-17/h6,8-9,11,13,18,20H,1-5,7,10,12H2
InChIKeyJXDDSKIQRBUHSL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.02
Rot. Bonds

About 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol

3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol (PubChem CID 169005834) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol.

Molecular Properties

Compound Name3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
PubChem CID169005834
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
SMILESOC1CCCCCCCc2cccc(c2)C2=NC=C1C2
InChIInChI=1S/C18H23NO/c20-18-10-5-3-1-2-4-7-14-8-6-9-15(11-14)17-12-16(18)13-19-17/h6,8-9,11,13,18,20H,1-5,7,10,12H2
InChIKeyJXDDSKIQRBUHSL-UHFFFAOYSA-N
XLogP4.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol with MolForge

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Related Compounds

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CID 123360794

Frequently Asked Questions

What is the IUPAC name of 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
The IUPAC name of 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol (CID 169005834) is 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol.
What is the SMILES notation for 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
The canonical SMILES for 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol is OC1CCCCCCCc2cccc(c2)C2=NC=C1C2.
What is the InChIKey of 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
The InChIKey is JXDDSKIQRBUHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18-10-5-3-1-2-4-7-14-8-6-9-15(11-14)17-12-16(18)13-19-17/h6,8-9,11,13,18,20H,1-5,7,10,12H2.
What are the key properties of 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol has a molecular weight of 269.39 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol is sourced from PubChem (CID 169005834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).