8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

C15H20N2O3 — CID 118499641

IUPAC8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCN1CCC2(C)CC1C(O)(O)c1ccc(C(N)=O)cc12
InChIInChI=1S/C15H20N2O3/c1-14-5-6-17(2)12(8-14)15(19,20)10-4-3-9(13(16)18)7-11(10)14/h3-4,7,12,19-20H,5-6,8H2,1-2H3,(H2,16,18)
InChIKeyFFDKDKJSLQBGQD-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.29
Rot. Bonds1

About 8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (PubChem CID 118499641) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

Compound Name8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
PubChem CID118499641
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCN1CCC2(C)CC1C(O)(O)c1ccc(C(N)=O)cc12
InChIInChI=1S/C15H20N2O3/c1-14-5-6-17(2)12(8-14)15(19,20)10-4-3-9(13(16)18)7-11(10)14/h3-4,7,12,19-20H,5-6,8H2,1-2H3,(H2,16,18)
InChIKeyFFDKDKJSLQBGQD-UHFFFAOYSA-N
XLogP0.29
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The IUPAC name of 8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (CID 118499641) is 8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.
What is the SMILES notation for 8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The canonical SMILES for 8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is CN1CCC2(C)CC1C(O)(O)c1ccc(C(N)=O)cc12.
What is the InChIKey of 8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The InChIKey is FFDKDKJSLQBGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-14-5-6-17(2)12(8-14)15(19,20)10-4-3-9(13(16)18)7-11(10)14/h3-4,7,12,19-20H,5-6,8H2,1-2H3,(H2,16,18).
What are the key properties of 8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dihydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 118499641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).