2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

C13H16N2OS — CID 45228805

IUPAC2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(C2CCCN2)s1)N1CC=CC1
InChIInChI=1S/C13H16N2OS/c16-13(15-8-1-2-9-15)12-6-5-11(17-12)10-4-3-7-14-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyWJJKPXRSONJDHE-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.18
Rot. Bonds2

About 2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone (PubChem CID 45228805) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
PubChem CID45228805
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(C2CCCN2)s1)N1CC=CC1
InChIInChI=1S/C13H16N2OS/c16-13(15-8-1-2-9-15)12-6-5-11(17-12)10-4-3-7-14-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyWJJKPXRSONJDHE-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexylthiophene-2-carboxamide
CID 855035
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-cyclooctylthiophene-2-carboxamide
CID 673377
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 3573521
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-cycloheptylthiophene-2-carboxamide
CID 2057917
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249
Thiophene-2-carboxylic acid (2-cyclopentyl-ethyl)-amide
CID 774817
N-[(5-Acetyl-2-thienyl)methyl]acetamide
CID 7131592

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The IUPAC name of 2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone (CID 45228805) is 2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for 2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for 2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone is O=C(c1ccc(C2CCCN2)s1)N1CC=CC1.
What is the InChIKey of 2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The InChIKey is WJJKPXRSONJDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-13(15-8-1-2-9-15)12-6-5-11(17-12)10-4-3-7-14-10/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of 2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone has a molecular weight of 248.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-yl-(5-pyrrolidin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 45228805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).