9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol

C14H16N2O — CID 117274353

IUPAC9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol
SMILESOCc1ccc2[nH]c3c(c2c1)C1CCN3CC1
InChIInChI=1S/C14H16N2O/c17-8-9-1-2-12-11(7-9)13-10-3-5-16(6-4-10)14(13)15-12/h1-2,7,10,15,17H,3-6,8H2
InChIKeyVYCMIYCMIUHVGC-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.36
Rot. Bonds1

About 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol

9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol (PubChem CID 117274353) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol.

Molecular Properties

Compound Name9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol
PubChem CID117274353
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol
SMILESOCc1ccc2[nH]c3c(c2c1)C1CCN3CC1
InChIInChI=1S/C14H16N2O/c17-8-9-1-2-12-11(7-9)13-10-3-5-16(6-4-10)14(13)15-12/h1-2,7,10,15,17H,3-6,8H2
InChIKeyVYCMIYCMIUHVGC-UHFFFAOYSA-N
XLogP2.36
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol?
The IUPAC name of 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol (CID 117274353) is 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol.
What is the SMILES notation for 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol?
The canonical SMILES for 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol is OCc1ccc2[nH]c3c(c2c1)C1CCN3CC1.
What is the InChIKey of 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol?
The InChIKey is VYCMIYCMIUHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-8-9-1-2-12-11(7-9)13-10-3-5-16(6-4-10)14(13)15-12/h1-2,7,10,15,17H,3-6,8H2.
What are the key properties of 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol?
9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol has a molecular weight of 228.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ylmethanol is sourced from PubChem (CID 117274353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).