(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate

C12H21NO2 — CID 142907839

IUPAC(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate
SMILESCN1CCC(OC(=O)CC2CCCC2)C1
InChIInChI=1S/C12H21NO2/c1-13-7-6-11(9-13)15-12(14)8-10-4-2-3-5-10/h10-11H,2-9H2,1H3
InChIKeyVQKDEMGJASYWRI-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds3

About (1-methylpyrrolidin-3-yl) 2-cyclopentylacetate

(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate (PubChem CID 142907839) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) 2-cyclopentylacetate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate
PubChem CID142907839
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate
SMILESCN1CCC(OC(=O)CC2CCCC2)C1
InChIInChI=1S/C12H21NO2/c1-13-7-6-11(9-13)15-12(14)8-10-4-2-3-5-10/h10-11H,2-9H2,1H3
InChIKeyVQKDEMGJASYWRI-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl 2-cyclohexylacetate;hydrochloride
CID 174567498
bis[(3R)-1-methylpiperidin-3-yl] pentanedioate
CID 6363199
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
(1-methylpyrrolidin-3-yl) 2-methylpropanoate
CID 58333474
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate
CID 58281328
1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one
CID 162750810
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
[(3S)-1-methylpyrrolidin-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
CID 134350272
propan-2-yl 2-(1-methylpiperidin-4-yl)acetate
CID 83983017

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl) 2-cyclopentylacetate?
The IUPAC name of (1-methylpyrrolidin-3-yl) 2-cyclopentylacetate (CID 142907839) is (1-methylpyrrolidin-3-yl) 2-cyclopentylacetate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) 2-cyclopentylacetate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) 2-cyclopentylacetate is CN1CCC(OC(=O)CC2CCCC2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) 2-cyclopentylacetate?
The InChIKey is VQKDEMGJASYWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13-7-6-11(9-13)15-12(14)8-10-4-2-3-5-10/h10-11H,2-9H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl) 2-cyclopentylacetate?
(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate has a molecular weight of 211.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) 2-cyclopentylacetate is sourced from PubChem (CID 142907839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).