1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid

C13H23NO2 — CID 83216148

IUPAC1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCN1C1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23NO2/c1-10-6-5-9-14(10)11-7-3-4-8-13(11,2)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyVVAKCGMYEIHNSN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.50
Rot. Bonds2

About 1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid

1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 83216148) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID83216148
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCN1C1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H23NO2/c1-10-6-5-9-14(10)11-7-3-4-8-13(11,2)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyVVAKCGMYEIHNSN-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 83216148) is 1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid is CC1CCCN1C1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is VVAKCGMYEIHNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-6-5-9-14(10)11-7-3-4-8-13(11,2)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83216148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).