6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid

C17H23NO2 — CID 2866814

IUPAC6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid
SMILESCC1CCC2C(C1)Nc1c(C(=O)O)cccc1C2(C)C
InChIInChI=1S/C17H23NO2/c1-10-7-8-12-14(9-10)18-15-11(16(19)20)5-4-6-13(15)17(12,2)3/h4-6,10,12,14,18H,7-9H2,1-3H3,(H,19,20)
InChIKeyAXJHPUBYXHXNHC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.89
Rot. Bonds1

About 6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid

6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid (PubChem CID 2866814) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid.

Molecular Properties

Compound Name6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid
PubChem CID2866814
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid
SMILESCC1CCC2C(C1)Nc1c(C(=O)O)cccc1C2(C)C
InChIInChI=1S/C17H23NO2/c1-10-7-8-12-14(9-10)18-15-11(16(19)20)5-4-6-13(15)17(12,2)3/h4-6,10,12,14,18H,7-9H2,1-3H3,(H,19,20)
InChIKeyAXJHPUBYXHXNHC-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid?
The IUPAC name of 6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid (CID 2866814) is 6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid.
What is the SMILES notation for 6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid?
The canonical SMILES for 6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid is CC1CCC2C(C1)Nc1c(C(=O)O)cccc1C2(C)C.
What is the InChIKey of 6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid?
The InChIKey is AXJHPUBYXHXNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10-7-8-12-14(9-10)18-15-11(16(19)20)5-4-6-13(15)17(12,2)3/h4-6,10,12,14,18H,7-9H2,1-3H3,(H,19,20).
What are the key properties of 6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid?
6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,9-trimethyl-6,7,8,8a,10,10a-hexahydro-5H-acridine-4-carboxylic acid is sourced from PubChem (CID 2866814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).