sodium;3,4-dihydro-2H-pyrrole;hydride

C4H8NNa — CID 173333300

IUPACsodium;3,4-dihydro-2H-pyrrole;hydride
SMILESC1=NCCC1.[H-].[Na+]
InChIInChI=1S/C4H7N.Na.H/c1-2-4-5-3-1;;/h3H,1-2,4H2;;/q;+1;-1
InChIKeyORWYVGOXMUIEEQ-UHFFFAOYSA-N
MW93.10 g/mol
LogP-2.03
Rot. Bonds

About sodium;3,4-dihydro-2H-pyrrole;hydride

sodium;3,4-dihydro-2H-pyrrole;hydride (PubChem CID 173333300) has the molecular formula C4H8NNa and a molecular weight of 93.10 g/mol. Its IUPAC name is sodium;3,4-dihydro-2H-pyrrole;hydride.

Molecular Properties

Compound Namesodium;3,4-dihydro-2H-pyrrole;hydride
PubChem CID173333300
Molecular FormulaC4H8NNa
Molecular Weight93.10 g/mol
Exact Mass93.06
IUPAC Namesodium;3,4-dihydro-2H-pyrrole;hydride
SMILESC1=NCCC1.[H-].[Na+]
InChIInChI=1S/C4H7N.Na.H/c1-2-4-5-3-1;;/h3H,1-2,4H2;;/q;+1;-1
InChIKeyORWYVGOXMUIEEQ-UHFFFAOYSA-N
XLogP-2.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.10
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze sodium;3,4-dihydro-2H-pyrrole;hydride 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 sodium;3,4-dihydro-2H-pyrrole;hydride?
The IUPAC name of sodium;3,4-dihydro-2H-pyrrole;hydride (CID 173333300) is sodium;3,4-dihydro-2H-pyrrole;hydride.
What is the SMILES notation for sodium;3,4-dihydro-2H-pyrrole;hydride?
The canonical SMILES for sodium;3,4-dihydro-2H-pyrrole;hydride is C1=NCCC1.[H-].[Na+].
What is the InChIKey of sodium;3,4-dihydro-2H-pyrrole;hydride?
The InChIKey is ORWYVGOXMUIEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.Na.H/c1-2-4-5-3-1;;/h3H,1-2,4H2;;/q;+1;-1.
What are the key properties of sodium;3,4-dihydro-2H-pyrrole;hydride?
sodium;3,4-dihydro-2H-pyrrole;hydride has a molecular weight of 93.10 g/mol, XLogP of -2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,4-dihydro-2H-pyrrole;hydride is sourced from PubChem (CID 173333300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).