3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C15H14NO2- — CID 4992007

IUPAC3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC1CCc2c(nc3ccccc3c2C(=O)[O-])C1
InChIInChI=1S/C15H15NO2/c1-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15(17)18/h2-5,9H,6-8H2,1H3,(H,17,18)/p-1
InChIKeyWNVOXWZXFSHLNZ-UHFFFAOYSA-M
MW240.28 g/mol
LogP1.72
Rot. Bonds1

About 3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 4992007) has the molecular formula C15H14NO2- and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID4992007
Molecular FormulaC15H14NO2-
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC1CCc2c(nc3ccccc3c2C(=O)[O-])C1
InChIInChI=1S/C15H15NO2/c1-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15(17)18/h2-5,9H,6-8H2,1H3,(H,17,18)/p-1
InChIKeyWNVOXWZXFSHLNZ-UHFFFAOYSA-M
XLogP1.72
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
CID 4079000
(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
(2R,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7062766
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18130518
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2652513
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139057
[2-(N-methylanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2434648
(2-oxooxolan-3-yl) 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3610287
N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 42905717
[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2380223

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of 3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 4992007) is 3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for 3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for 3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC1CCc2c(nc3ccccc3c2C(=O)[O-])C1.
What is the InChIKey of 3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is WNVOXWZXFSHLNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO2/c1-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15(17)18/h2-5,9H,6-8H2,1H3,(H,17,18)/p-1.
What are the key properties of 3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 4992007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).