11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol

C15H19NO2 — CID 90921768

IUPAC11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol
SMILESCn1c(O)c2c(c1O)C1CC2C2C3CCC(C3)C12
InChIInChI=1S/C15H19NO2/c1-16-14(17)12-8-5-9(13(12)15(16)18)11-7-3-2-6(4-7)10(8)11/h6-11,17-18H,2-5H2,1H3
InChIKeyMMGOXIICVTWBPM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.68
Rot. Bonds

About 11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol

11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol (PubChem CID 90921768) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol.

Molecular Properties

Compound Name11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol
PubChem CID90921768
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol
SMILESCn1c(O)c2c(c1O)C1CC2C2C3CCC(C3)C12
InChIInChI=1S/C15H19NO2/c1-16-14(17)12-8-5-9(13(12)15(16)18)11-7-3-2-6(4-7)10(8)11/h6-11,17-18H,2-5H2,1H3
InChIKeyMMGOXIICVTWBPM-UHFFFAOYSA-N
XLogP2.68
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol?
The IUPAC name of 11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol (CID 90921768) is 11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol.
What is the SMILES notation for 11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol?
The canonical SMILES for 11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol is Cn1c(O)c2c(c1O)C1CC2C2C3CCC(C3)C12.
What is the InChIKey of 11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol?
The InChIKey is MMGOXIICVTWBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-14(17)12-8-5-9(13(12)15(16)18)11-7-3-2-6(4-7)10(8)11/h6-11,17-18H,2-5H2,1H3.
What are the key properties of 11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol?
11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol has a molecular weight of 245.32 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-diene-10,12-diol is sourced from PubChem (CID 90921768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).