2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene

C8H13NS — CID 158638277

IUPAC2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene
SMILESC1=CCNC1.C1=CCSC1
InChIInChI=1S/C4H7N.C4H6S/c2*1-2-4-5-3-1/h1-2,5H,3-4H2;1-2H,3-4H2
InChIKeyIAAVMMVWNMYIEA-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.44
Rot. Bonds

About 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene

2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene (PubChem CID 158638277) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene
PubChem CID158638277
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene
SMILESC1=CCNC1.C1=CCSC1
InChIInChI=1S/C4H7N.C4H6S/c2*1-2-4-5-3-1/h1-2,5H,3-4H2;1-2H,3-4H2
InChIKeyIAAVMMVWNMYIEA-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene?
The IUPAC name of 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene (CID 158638277) is 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene.
What is the SMILES notation for 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene?
The canonical SMILES for 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene is C1=CCNC1.C1=CCSC1.
What is the InChIKey of 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene?
The InChIKey is IAAVMMVWNMYIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C4H6S/c2*1-2-4-5-3-1/h1-2,5H,3-4H2;1-2H,3-4H2.
What are the key properties of 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene?
2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene has a molecular weight of 155.27 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrole;2,5-dihydrothiophene is sourced from PubChem (CID 158638277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).