methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate

C15H21NO2 — CID 117028348

IUPACmethyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate
SMILESCCc1cccc(C)c1N1CCC(C(=O)OC)C1
InChIInChI=1S/C15H21NO2/c1-4-12-7-5-6-11(2)14(12)16-9-8-13(10-16)15(17)18-3/h5-7,13H,4,8-10H2,1-3H3
InChIKeyRDJRUWAYJQAWAV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds3

About methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate

methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate (PubChem CID 117028348) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate
PubChem CID117028348
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate
SMILESCCc1cccc(C)c1N1CCC(C(=O)OC)C1
InChIInChI=1S/C15H21NO2/c1-4-12-7-5-6-11(2)14(12)16-9-8-13(10-16)15(17)18-3/h5-7,13H,4,8-10H2,1-3H3
InChIKeyRDJRUWAYJQAWAV-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
3-[1-(2-ethyl-6-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002596
methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
CID 113226248
1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
1-(2-ethyl-6-methylphenyl)azetidin-3-amine
CID 117002804
1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine
CID 59110945
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
CID 113075979
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate
CID 78997161
methyl 1-(2-bromophenyl)pyrrolidine-3-carboxylate
CID 117028374
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate (CID 117028348) is methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate is CCc1cccc(C)c1N1CCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate?
The InChIKey is RDJRUWAYJQAWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-12-7-5-6-11(2)14(12)16-9-8-13(10-16)15(17)18-3/h5-7,13H,4,8-10H2,1-3H3.
What are the key properties of methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate?
methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 117028348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).