(1-methyl-5-oxopyrrolidin-2-yl)methyl acetate

C8H13NO3 — CID 566583

IUPAC(1-methyl-5-oxopyrrolidin-2-yl)methyl acetate
SMILESCC(=O)OCC1CCC(=O)N1C
InChIInChI=1S/C8H13NO3/c1-6(10)12-5-7-3-4-8(11)9(7)2/h7H,3-5H2,1-2H3
InChIKeyVCPWCGQTUDNMMS-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.17
Rot. Bonds2

About (1-methyl-5-oxopyrrolidin-2-yl)methyl acetate

(1-methyl-5-oxopyrrolidin-2-yl)methyl acetate (PubChem CID 566583) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (1-methyl-5-oxopyrrolidin-2-yl)methyl acetate.

Molecular Properties

Compound Name(1-methyl-5-oxopyrrolidin-2-yl)methyl acetate
PubChem CID566583
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(1-methyl-5-oxopyrrolidin-2-yl)methyl acetate
SMILESCC(=O)OCC1CCC(=O)N1C
InChIInChI=1S/C8H13NO3/c1-6(10)12-5-7-3-4-8(11)9(7)2/h7H,3-5H2,1-2H3
InChIKeyVCPWCGQTUDNMMS-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-oxopyrrolidin-2-yl)methyl acetate?
The IUPAC name of (1-methyl-5-oxopyrrolidin-2-yl)methyl acetate (CID 566583) is (1-methyl-5-oxopyrrolidin-2-yl)methyl acetate.
What is the SMILES notation for (1-methyl-5-oxopyrrolidin-2-yl)methyl acetate?
The canonical SMILES for (1-methyl-5-oxopyrrolidin-2-yl)methyl acetate is CC(=O)OCC1CCC(=O)N1C.
What is the InChIKey of (1-methyl-5-oxopyrrolidin-2-yl)methyl acetate?
The InChIKey is VCPWCGQTUDNMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)12-5-7-3-4-8(11)9(7)2/h7H,3-5H2,1-2H3.
What are the key properties of (1-methyl-5-oxopyrrolidin-2-yl)methyl acetate?
(1-methyl-5-oxopyrrolidin-2-yl)methyl acetate has a molecular weight of 171.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-oxopyrrolidin-2-yl)methyl acetate is sourced from PubChem (CID 566583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).