5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile

C16H20N2OS — CID 22393777

IUPAC5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile
SMILESCC(C)C(C#N)(CCC(=O)N1CC=CC1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-13(2)16(12-17,14-6-5-11-20-14)8-7-15(19)18-9-3-4-10-18/h3-6,11,13H,7-10H2,1-2H3
InChIKeyDNWYBPJASKRIFR-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.34
Rot. Bonds5

About 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile

5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile (PubChem CID 22393777) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile.

Molecular Properties

Compound Name5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile
PubChem CID22393777
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile
SMILESCC(C)C(C#N)(CCC(=O)N1CC=CC1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-13(2)16(12-17,14-6-5-11-20-14)8-7-15(19)18-9-3-4-10-18/h3-6,11,13H,7-10H2,1-2H3
InChIKeyDNWYBPJASKRIFR-UHFFFAOYSA-N
XLogP3.34
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-cyano-5-methyl-4-thiophen-2-ylhexanoate;3-methyl-2-thiophen-2-ylbutanenitrile
CID 159385953
5-[4-[2-(4-methylthiophen-2-yl)oxyethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile
CID 69381220
(4S)-4-cyano-5-methyl-4-thiophen-3-ylhexanoic acid
CID 20800700
2-propan-2-yl-2-thiophen-2-yl-5-[4-[2-[(1E,3E)-5,5,5-trifluoro-1-(methylideneamino)penta-1,3-dienoxy]ethyl]piperazin-1-yl]pentanenitrile
CID 142076590
2-(4-butanoylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile
CID 110349388
2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
CID 80526849
4-cyano-4-(4-fluorophenyl)-5-methylhexanoic acid
CID 18759266
ethyl (4S)-4-cyano-4-morpholin-4-ium-4-yl-4-thiophen-2-ylbutanoate
CID 7004780
(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
CID 66989083
2,4-bis(2,5-dihydropyrrol-1-yl)pentan-3-one
CID 174729841
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 71972444

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile?
The IUPAC name of 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile (CID 22393777) is 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile.
What is the SMILES notation for 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile?
The canonical SMILES for 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile is CC(C)C(C#N)(CCC(=O)N1CC=CC1)c1cccs1.
What is the InChIKey of 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile?
The InChIKey is DNWYBPJASKRIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13(2)16(12-17,14-6-5-11-20-14)8-7-15(19)18-9-3-4-10-18/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile?
5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile has a molecular weight of 288.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydropyrrol-1-yl)-5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile is sourced from PubChem (CID 22393777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).