1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

C14H19NO2 — CID 54172418

IUPAC1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESCC1=C(C)C2(C)c3c(O)[nH]c(O)c3C1(C)C2C
InChIInChI=1S/C14H19NO2/c1-6-7(2)14(5)8(3)13(6,4)9-10(14)12(17)15-11(9)16/h8,15-17H,1-5H3
InChIKeyOVYKSGSMQRLAGH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.94
Rot. Bonds

About 1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (PubChem CID 54172418) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.

Molecular Properties

Compound Name1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
PubChem CID54172418
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
SMILESCC1=C(C)C2(C)c3c(O)[nH]c(O)c3C1(C)C2C
InChIInChI=1S/C14H19NO2/c1-6-7(2)14(5)8(3)13(6,4)9-10(14)12(17)15-11(9)16/h8,15-17H,1-5H3
InChIKeyOVYKSGSMQRLAGH-UHFFFAOYSA-N
XLogP2.94
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The IUPAC name of 1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol (CID 54172418) is 1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol.
What is the SMILES notation for 1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The canonical SMILES for 1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is CC1=C(C)C2(C)c3c(O)[nH]c(O)c3C1(C)C2C.
What is the InChIKey of 1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
The InChIKey is OVYKSGSMQRLAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-6-7(2)14(5)8(3)13(6,4)9-10(14)12(17)15-11(9)16/h8,15-17H,1-5H3.
What are the key properties of 1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol?
1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol has a molecular weight of 233.31 g/mol, XLogP of 2.94, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol is sourced from PubChem (CID 54172418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).