(R)-1-Acetyl-3-pyrrolidinol

C6H11NO2 — CID 10486876

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](C1)O
InChIInChI=1S/C6H11NO2/c1-5(8)7-3-2-6(9)4-7/h6,9H,2-4H2,1H3/t6-/m1/s1
InChIKeyODHQVFPGHQBQSY-ZCFIWIBFSA-N
MW129.16 g/mol
LogP-0.80
Rot. Bonds

About (R)-1-Acetyl-3-pyrrolidinol

(R)-1-Acetyl-3-pyrrolidinol (PubChem CID 10486876) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name(R)-1-Acetyl-3-pyrrolidinol
PubChem CID10486876
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](C1)O
InChIInChI=1S/C6H11NO2/c1-5(8)7-3-2-6(9)4-7/h6,9H,2-4H2,1H3/t6-/m1/s1
InChIKeyODHQVFPGHQBQSY-ZCFIWIBFSA-N
XLogP-0.80
TPSA40.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity124

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-1-Acetyl-3-pyrrolidinol?
The IUPAC name of (R)-1-Acetyl-3-pyrrolidinol (CID 10486876) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for (R)-1-Acetyl-3-pyrrolidinol?
The canonical SMILES for (R)-1-Acetyl-3-pyrrolidinol is CC(=O)N1CC[C@H](C1)O.
What is the InChIKey of (R)-1-Acetyl-3-pyrrolidinol?
The InChIKey is ODHQVFPGHQBQSY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)7-3-2-6(9)4-7/h6,9H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of (R)-1-Acetyl-3-pyrrolidinol?
(R)-1-Acetyl-3-pyrrolidinol has a molecular weight of 129.16 g/mol, XLogP of -0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1-Acetyl-3-pyrrolidinol is sourced from PubChem (CID 10486876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).