(2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C13H24N2O2 — CID 112625313

IUPAC(2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCC(C(C)O)C2)CCCN1
InChIInChI=1S/C13H24N2O2/c1-3-13(6-4-7-14-13)12(17)15-8-5-11(9-15)10(2)16/h10-11,14,16H,3-9H2,1-2H3
InChIKeyPAUXRCVHGBJODQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds3

About (2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112625313) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112625313
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCC(C(C)O)C2)CCCN1
InChIInChI=1S/C13H24N2O2/c1-3-13(6-4-7-14-13)12(17)15-8-5-11(9-15)10(2)16/h10-11,14,16H,3-9H2,1-2H3
InChIKeyPAUXRCVHGBJODQ-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112625313) is (2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CCC1(C(=O)N2CCC(C(C)O)C2)CCCN1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is PAUXRCVHGBJODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-13(6-4-7-14-13)12(17)15-8-5-11(9-15)10(2)16/h10-11,14,16H,3-9H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112625313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).