cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate

C12H21NO2 — CID 66321572

IUPACcyclopentylmethyl 4-methylpyrrolidine-3-carboxylate
SMILESCC1CNCC1C(=O)OCC1CCCC1
InChIInChI=1S/C12H21NO2/c1-9-6-13-7-11(9)12(14)15-8-10-4-2-3-5-10/h9-11,13H,2-8H2,1H3
InChIKeyISZMSNRCOOYXMM-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.58
Rot. Bonds3

About cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate

cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate (PubChem CID 66321572) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 4-methylpyrrolidine-3-carboxylate
PubChem CID66321572
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclopentylmethyl 4-methylpyrrolidine-3-carboxylate
SMILESCC1CNCC1C(=O)OCC1CCCC1
InChIInChI=1S/C12H21NO2/c1-9-6-13-7-11(9)12(14)15-8-10-4-2-3-5-10/h9-11,13H,2-8H2,1H3
InChIKeyISZMSNRCOOYXMM-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate?
The IUPAC name of cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate (CID 66321572) is cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate is CC1CNCC1C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate?
The InChIKey is ISZMSNRCOOYXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-6-13-7-11(9)12(14)15-8-10-4-2-3-5-10/h9-11,13H,2-8H2,1H3.
What are the key properties of cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate?
cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 66321572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).