1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one

C10H15NO4 — CID 145485133

IUPAC1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1C1CCC(O)O1
InChIInChI=1S/C10H15NO4/c1-6(12)11-7(2-4-9(11)13)8-3-5-10(14)15-8/h7-8,10,14H,2-5H2,1H3
InChIKeySHDYSZWYEPOVRJ-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.02
Rot. Bonds1

About 1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one

1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one (PubChem CID 145485133) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one
PubChem CID145485133
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1C1CCC(O)O1
InChIInChI=1S/C10H15NO4/c1-6(12)11-7(2-4-9(11)13)8-3-5-10(14)15-8/h7-8,10,14H,2-5H2,1H3
InChIKeySHDYSZWYEPOVRJ-UHFFFAOYSA-N
XLogP0.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-Hydroxyoxolan-2-yl)pyrrolidin-2-one
CID 123280021

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one (CID 145485133) is 1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one is CC(=O)N1C(=O)CCC1C1CCC(O)O1.
What is the InChIKey of 1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one?
The InChIKey is SHDYSZWYEPOVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(12)11-7(2-4-9(11)13)8-3-5-10(14)15-8/h7-8,10,14H,2-5H2,1H3.
What are the key properties of 1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one?
1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one has a molecular weight of 213.23 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(5-hydroxyoxolan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 145485133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).