(1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate

C12H14ClNO3S — CID 119040499

IUPAC(1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate
SMILESCC(=O)N1CCC(OC(=O)Cc2ccc(Cl)s2)C1
InChIInChI=1S/C12H14ClNO3S/c1-8(15)14-5-4-9(7-14)17-12(16)6-10-2-3-11(13)18-10/h2-3,9H,4-7H2,1H3
InChIKeyAWNWKGOIVJOMEK-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.11
Rot. Bonds3

About (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate

(1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate (PubChem CID 119040499) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate.

Molecular Properties

Compound Name(1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate
PubChem CID119040499
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name(1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate
SMILESCC(=O)N1CCC(OC(=O)Cc2ccc(Cl)s2)C1
InChIInChI=1S/C12H14ClNO3S/c1-8(15)14-5-4-9(7-14)17-12(16)6-10-2-3-11(13)18-10/h2-3,9H,4-7H2,1H3
InChIKeyAWNWKGOIVJOMEK-UHFFFAOYSA-N
XLogP2.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate?
The IUPAC name of (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate (CID 119040499) is (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate.
What is the SMILES notation for (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate?
The canonical SMILES for (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate is CC(=O)N1CCC(OC(=O)Cc2ccc(Cl)s2)C1.
What is the InChIKey of (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate?
The InChIKey is AWNWKGOIVJOMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-8(15)14-5-4-9(7-14)17-12(16)6-10-2-3-11(13)18-10/h2-3,9H,4-7H2,1H3.
What are the key properties of (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate?
(1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate has a molecular weight of 287.77 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpyrrolidin-3-yl) 2-(5-chlorothiophen-2-yl)acetate is sourced from PubChem (CID 119040499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).