1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

C13H22N2O2 — CID 136584818

IUPAC1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCCC1CCCN1C(=O)[C@H]1CCCN1C(C)=O
InChIInChI=1S/C13H22N2O2/c1-3-11-6-4-9-15(11)13(17)12-7-5-8-14(12)10(2)16/h11-12H,3-9H2,1-2H3/t11?,12-/m1/s1
InChIKeyPNCJKTRJUZUFJU-PIJUOVFKSA-N
MW238.33 g/mol
LogP1.40
Rot. Bonds2

About 1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 136584818) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID136584818
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCCC1CCCN1C(=O)[C@H]1CCCN1C(C)=O
InChIInChI=1S/C13H22N2O2/c1-3-11-6-4-9-15(11)13(17)12-7-5-8-14(12)10(2)16/h11-12H,3-9H2,1-2H3/t11?,12-/m1/s1
InChIKeyPNCJKTRJUZUFJU-PIJUOVFKSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 136584818) is 1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone is CCC1CCCN1C(=O)[C@H]1CCCN1C(C)=O.
What is the InChIKey of 1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is PNCJKTRJUZUFJU-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-11-6-4-9-15(11)13(17)12-7-5-8-14(12)10(2)16/h11-12H,3-9H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 238.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-ethylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 136584818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).