2,3-dihydropyrrol-2-ide

C4H4N- — CID 58066797

IUPAC2,3-dihydropyrrol-2-ide
SMILES[C-]1=NC=CC1
InChIInChI=1S/C4H4N/c1-2-4-5-3-1/h1,3H,2H2/q-1
InChIKeyPOQCOOPEWUZWNY-UHFFFAOYSA-N
MW66.08 g/mol
LogP0.85
Rot. Bonds

About 2,3-dihydropyrrol-2-ide

2,3-dihydropyrrol-2-ide (PubChem CID 58066797) has the molecular formula C4H4N- and a molecular weight of 66.08 g/mol. Its IUPAC name is 2,3-dihydropyrrol-2-ide.

Molecular Properties

Compound Name2,3-dihydropyrrol-2-ide
PubChem CID58066797
Molecular FormulaC4H4N-
Molecular Weight66.08 g/mol
Exact Mass66.03
IUPAC Name2,3-dihydropyrrol-2-ide
SMILES[C-]1=NC=CC1
InChIInChI=1S/C4H4N/c1-2-4-5-3-1/h1,3H,2H2/q-1
InChIKeyPOQCOOPEWUZWNY-UHFFFAOYSA-N
XLogP0.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.08
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dihydropyrrol-2-ide 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

3H-pyrrole
CID 6857513
3,4-Dihydropyridine
CID 14550603
2-Fluoro-3,4-dihydropyridine
CID 144625209
2-fluoro-3H-pyrrole
CID 159036893
4-Azacycloheptatetraene
CID 129719079
3h-pyrrole N-oxide
CID 129866051
3-methyl-3H-pyrrole
CID 10953038
N-pyrrolidone
CID 19759615
2-methyl-3H-pyrrole
CID 22094043
CID 23527755
CID 23527755
N-but-1-enylpropan-1-imine
CID 53828011
4H-pyridine
CID 57269531

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrol-2-ide?
The IUPAC name of 2,3-dihydropyrrol-2-ide (CID 58066797) is 2,3-dihydropyrrol-2-ide.
What is the SMILES notation for 2,3-dihydropyrrol-2-ide?
The canonical SMILES for 2,3-dihydropyrrol-2-ide is [C-]1=NC=CC1.
What is the InChIKey of 2,3-dihydropyrrol-2-ide?
The InChIKey is POQCOOPEWUZWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N/c1-2-4-5-3-1/h1,3H,2H2/q-1.
What are the key properties of 2,3-dihydropyrrol-2-ide?
2,3-dihydropyrrol-2-ide has a molecular weight of 66.08 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrol-2-ide is sourced from PubChem (CID 58066797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).