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

C14H16N2O — CID 117274373

IUPAC9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol
SMILESCn1c2c(c3cc(O)ccc31)C1CCN2CC1
InChIInChI=1S/C14H16N2O/c1-15-12-3-2-10(17)8-11(12)13-9-4-6-16(7-5-9)14(13)15/h2-3,8-9,17H,4-7H2,1H3
InChIKeyWLKMRKDESFNTHH-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.58
Rot. Bonds

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

9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol (PubChem CID 117274373) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol.

Molecular Properties

Compound Name9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol
PubChem CID117274373
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol
SMILESCn1c2c(c3cc(O)ccc31)C1CCN2CC1
InChIInChI=1S/C14H16N2O/c1-15-12-3-2-10(17)8-11(12)13-9-4-6-16(7-5-9)14(13)15/h2-3,8-9,17H,4-7H2,1H3
InChIKeyWLKMRKDESFNTHH-UHFFFAOYSA-N
XLogP2.58
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol?
The IUPAC name of 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol (CID 117274373) is 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol.
What is the SMILES notation for 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol?
The canonical SMILES for 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol is Cn1c2c(c3cc(O)ccc31)C1CCN2CC1.
What is the InChIKey of 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol?
The InChIKey is WLKMRKDESFNTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-15-12-3-2-10(17)8-11(12)13-9-4-6-16(7-5-9)14(13)15/h2-3,8-9,17H,4-7H2,1H3.
What are the key properties of 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol?
9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol has a molecular weight of 228.29 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-ol is sourced from PubChem (CID 117274373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).