(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate

C14H17NO3S — CID 71857487

IUPAC(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H17NO3S/c1-9-4-5-19-13(9)14(17)18-8-10-6-12(16)15(7-10)11-2-3-11/h4-5,10-11H,2-3,6-8H2,1H3
InChIKeyDIELRWAZCPYIIJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.22
Rot. Bonds4

About (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate

(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate (PubChem CID 71857487) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate
PubChem CID71857487
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H17NO3S/c1-9-4-5-19-13(9)14(17)18-8-10-6-12(16)15(7-10)11-2-3-11/h4-5,10-11H,2-3,6-8H2,1H3
InChIKeyDIELRWAZCPYIIJ-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.22
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 3-methylthiophene-2-carboxylate?
The IUPAC name of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate (CID 71857487) is (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate.
What is the SMILES notation for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate?
The canonical SMILES for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC1CC(=O)N(C2CC2)C1.
What is the InChIKey of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate?
The InChIKey is DIELRWAZCPYIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-9-4-5-19-13(9)14(17)18-8-10-6-12(16)15(7-10)11-2-3-11/h4-5,10-11H,2-3,6-8H2,1H3.
What are the key properties of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate?
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 2.22, 4 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 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 71857487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).