(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate

C18H19NO3S — CID 126834061

IUPAC(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate
SMILESO=C(Cc1cc2ccccc2s1)OCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H19NO3S/c20-17-7-12(10-19(17)14-5-6-14)11-22-18(21)9-15-8-13-3-1-2-4-16(13)23-15/h1-4,8,12,14H,5-7,9-11H2
InChIKeyUXGFSAMTTBBAPV-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.00
Rot. Bonds5

About (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate

(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate (PubChem CID 126834061) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate.

Molecular Properties

Compound Name(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate
PubChem CID126834061
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate
SMILESO=C(Cc1cc2ccccc2s1)OCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H19NO3S/c20-17-7-12(10-19(17)14-5-6-14)11-22-18(21)9-15-8-13-3-1-2-4-16(13)23-15/h1-4,8,12,14H,5-7,9-11H2
InChIKeyUXGFSAMTTBBAPV-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate?
The IUPAC name of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate (CID 126834061) is (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate.
What is the SMILES notation for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate?
The canonical SMILES for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate is O=C(Cc1cc2ccccc2s1)OCC1CC(=O)N(C2CC2)C1.
What is the InChIKey of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate?
The InChIKey is UXGFSAMTTBBAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-17-7-12(10-19(17)14-5-6-14)11-22-18(21)9-15-8-13-3-1-2-4-16(13)23-15/h1-4,8,12,14H,5-7,9-11H2.
What are the key properties of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate?
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate has a molecular weight of 329.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate is sourced from PubChem (CID 126834061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).