1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone

C11H20N2O2 — CID 107218090

IUPAC1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)N1CCC[C@H]1CO
InChIInChI=1S/C11H20N2O2/c14-8-10-4-2-6-13(10)11(15)7-9-3-1-5-12-9/h9-10,12,14H,1-8H2/t9?,10-/m0/s1
InChIKeyLXZDYCVREVGINM-AXDSSHIGSA-N
MW212.29 g/mol
LogP0.11
Rot. Bonds3

About 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone (PubChem CID 107218090) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
PubChem CID107218090
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)N1CCC[C@H]1CO
InChIInChI=1S/C11H20N2O2/c14-8-10-4-2-6-13(10)11(15)7-9-3-1-5-12-9/h9-10,12,14H,1-8H2/t9?,10-/m0/s1
InChIKeyLXZDYCVREVGINM-AXDSSHIGSA-N
XLogP0.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107217877
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone
CID 61409850
1-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119757583
1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119726913
1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858
[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea
CID 119765949
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119766499
1-(2-cyclopentylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119744515
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
1-(2-methylpiperidin-1-yl)-2-piperidin-2-ylethanone
CID 43151335
1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119788481
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone (CID 107218090) is 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)N1CCC[C@H]1CO.
What is the InChIKey of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The InChIKey is LXZDYCVREVGINM-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-8-10-4-2-6-13(10)11(15)7-9-3-1-5-12-9/h9-10,12,14H,1-8H2/t9?,10-/m0/s1.
What are the key properties of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone has a molecular weight of 212.29 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 107218090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).