(1-methyl-2-oxopyrrolidin-3-yl) acetate

C7H11NO3 — CID 45090947

IUPAC(1-methyl-2-oxopyrrolidin-3-yl) acetate
SMILESCC(=O)OC1CCN(C)C1=O
InChIInChI=1S/C7H11NO3/c1-5(9)11-6-3-4-8(2)7(6)10/h6H,3-4H2,1-2H3
InChIKeySIHVSMCLPNKRGC-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.22
Rot. Bonds1

About (1-methyl-2-oxopyrrolidin-3-yl) acetate

(1-methyl-2-oxopyrrolidin-3-yl) acetate (PubChem CID 45090947) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1-methyl-2-oxopyrrolidin-3-yl) acetate.

Molecular Properties

Compound Name(1-methyl-2-oxopyrrolidin-3-yl) acetate
PubChem CID45090947
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(1-methyl-2-oxopyrrolidin-3-yl) acetate
SMILESCC(=O)OC1CCN(C)C1=O
InChIInChI=1S/C7H11NO3/c1-5(9)11-6-3-4-8(2)7(6)10/h6H,3-4H2,1-2H3
InChIKeySIHVSMCLPNKRGC-UHFFFAOYSA-N
XLogP-0.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-2,5-dioxopyrrolidin-3-yl acetate
CID 16456053
2-Pyrrolidinone, 1-acetyl-4-(acetyloxy)-, (+-)-
CID 13202145
4-(2-Oxopyrrolidin-1-yl)butan-2-yl acetate
CID 139212369
Ethyl-methyl-oxazolidinedione
CID 13892513
2-(2-Oxopyrrolidin-1-yl)ethyl acetate
CID 20077594
2-Oxopyrrolidin-3-yl acetate
CID 20452404
3-Methoxy-1-methylpyrrolidin-2-one
CID 22966314
Ethyl pyrrolidone acetate
CID 122691995
1-Methyl-3-(trifluoromethoxy)pyrrolidin-2-one
CID 123279577
(1-Methyl-2-oxopyrrolidin-3-yl) 2,2,2-trifluoroacetate
CID 172552112
(r)-1-Methyl-2,5-dioxopyrrolidin-3-yl acetate
CID 129823376
1-(3-Aminopropyl)-2-pyrrolidone acetate
CID 132280456

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxopyrrolidin-3-yl) acetate?
The IUPAC name of (1-methyl-2-oxopyrrolidin-3-yl) acetate (CID 45090947) is (1-methyl-2-oxopyrrolidin-3-yl) acetate.
What is the SMILES notation for (1-methyl-2-oxopyrrolidin-3-yl) acetate?
The canonical SMILES for (1-methyl-2-oxopyrrolidin-3-yl) acetate is CC(=O)OC1CCN(C)C1=O.
What is the InChIKey of (1-methyl-2-oxopyrrolidin-3-yl) acetate?
The InChIKey is SIHVSMCLPNKRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(9)11-6-3-4-8(2)7(6)10/h6H,3-4H2,1-2H3.
What are the key properties of (1-methyl-2-oxopyrrolidin-3-yl) acetate?
(1-methyl-2-oxopyrrolidin-3-yl) acetate has a molecular weight of 157.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxopyrrolidin-3-yl) acetate is sourced from PubChem (CID 45090947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).