2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile

C10H11N3OS — CID 168699885

IUPAC2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile
SMILESCc1cc(C#N)c(N2CC(N)CC2=O)s1
InChIInChI=1S/C10H11N3OS/c1-6-2-7(4-11)10(15-6)13-5-8(12)3-9(13)14/h2,8H,3,5,12H2,1H3
InChIKeyJYNNCXHIAJTXFX-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.99
Rot. Bonds1

About 2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile

2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile (PubChem CID 168699885) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile
PubChem CID168699885
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile
SMILESCc1cc(C#N)c(N2CC(N)CC2=O)s1
InChIInChI=1S/C10H11N3OS/c1-6-2-7(4-11)10(15-6)13-5-8(12)3-9(13)14/h2,8H,3,5,12H2,1H3
InChIKeyJYNNCXHIAJTXFX-UHFFFAOYSA-N
XLogP0.99
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile?
The IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile (CID 168699885) is 2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile.
What is the SMILES notation for 2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile?
The canonical SMILES for 2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile is Cc1cc(C#N)c(N2CC(N)CC2=O)s1.
What is the InChIKey of 2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile?
The InChIKey is JYNNCXHIAJTXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6-2-7(4-11)10(15-6)13-5-8(12)3-9(13)14/h2,8H,3,5,12H2,1H3.
What are the key properties of 2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile?
2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile has a molecular weight of 221.28 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile is sourced from PubChem (CID 168699885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).