4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate

C10H17NO3 — CID 139212369

IUPAC4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate
SMILESCC(=O)OC(C)CCN1CCCC1=O
InChIInChI=1S/C10H17NO3/c1-8(14-9(2)12)5-7-11-6-3-4-10(11)13/h8H,3-7H2,1-2H3
InChIKeyZTCAOAWUYAANSE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds4

About 4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate

4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate (PubChem CID 139212369) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate
PubChem CID139212369
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate
SMILESCC(=O)OC(C)CCN1CCCC1=O
InChIInChI=1S/C10H17NO3/c1-8(14-9(2)12)5-7-11-6-3-4-10(11)13/h8H,3-7H2,1-2H3
InChIKeyZTCAOAWUYAANSE-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate (CID 139212369) is 4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate is CC(=O)OC(C)CCN1CCCC1=O.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate?
The InChIKey is ZTCAOAWUYAANSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(14-9(2)12)5-7-11-6-3-4-10(11)13/h8H,3-7H2,1-2H3.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate?
4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate has a molecular weight of 199.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)butan-2-yl acetate is sourced from PubChem (CID 139212369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).