(2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide

C15H23N2O+ — CID 7405903

IUPAC(2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@@H]2CCC[NH+]2C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-10-8-11(2)14(12(3)9-10)16-15(18)13-6-5-7-17(13)4/h8-9,13H,5-7H2,1-4H3,(H,16,18)/p+1/t13-/m0/s1
InChIKeyOHFQNJAIZIYKSC-ZDUSSCGKSA-O
MW247.36 g/mol
LogP1.23
Rot. Bonds2

About (2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide

(2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide (PubChem CID 7405903) has the molecular formula C15H23N2O+ and a molecular weight of 247.36 g/mol. Its IUPAC name is (2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide
PubChem CID7405903
Molecular FormulaC15H23N2O+
Molecular Weight247.36 g/mol
Exact Mass247.18
IUPAC Name(2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@@H]2CCC[NH+]2C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-10-8-11(2)14(12(3)9-10)16-15(18)13-6-5-7-17(13)4/h8-9,13H,5-7H2,1-4H3,(H,16,18)/p+1/t13-/m0/s1
InChIKeyOHFQNJAIZIYKSC-ZDUSSCGKSA-O
XLogP1.23
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-fluoro-2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide iodide
CID 126564384
N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide
CID 24848322
(2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide
CID 7071924
N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride
CID 517315
(1S,4R)-3-[(2,4,6-trimethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 52945541
3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-3-carboxamide
CID 110858216
(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 51474501
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
(1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98142401
2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 79382496

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide (CID 7405903) is (2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide is Cc1cc(C)c(NC(=O)[C@@H]2CCC[NH+]2C)c(C)c1.
What is the InChIKey of (2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide?
The InChIKey is OHFQNJAIZIYKSC-ZDUSSCGKSA-O. The full InChI is InChI=1S/C15H22N2O/c1-10-8-11(2)14(12(3)9-10)16-15(18)13-6-5-7-17(13)4/h8-9,13H,5-7H2,1-4H3,(H,16,18)/p+1/t13-/m0/s1.
What are the key properties of (2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide?
(2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide has a molecular weight of 247.36 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide is sourced from PubChem (CID 7405903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).