3,4-dihydro-2H-pyrrole;selane

C4H9NSe — CID 172781345

IUPAC3,4-dihydro-2H-pyrrole;selane
SMILESC1=NCCC1.[SeH2]
InChIInChI=1S/C4H7N.H2Se/c1-2-4-5-3-1;/h3H,1-2,4H2;1H2
InChIKeyOHLAJEFBUYHWJG-UHFFFAOYSA-N
MW150.08 g/mol
LogP-0.07
Rot. Bonds

About 3,4-dihydro-2H-pyrrole;selane

3,4-dihydro-2H-pyrrole;selane (PubChem CID 172781345) has the molecular formula C4H9NSe and a molecular weight of 150.08 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole;selane.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole;selane
PubChem CID172781345
Molecular FormulaC4H9NSe
Molecular Weight150.08 g/mol
Exact Mass150.99
IUPAC Name3,4-dihydro-2H-pyrrole;selane
SMILESC1=NCCC1.[SeH2]
InChIInChI=1S/C4H7N.H2Se/c1-2-4-5-3-1;/h3H,1-2,4H2;1H2
InChIKeyOHLAJEFBUYHWJG-UHFFFAOYSA-N
XLogP-0.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.08
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Pyrroline
CID 79803
N-propylidenebutylamine
CID 12510988
Dihydrochloride 3,4-dihydro-2h pyrrole
CID 129777191
3,4-Dihydro-2H-pyrrolehydrochloride
CID 20509730
CID 57466056
CID 57466056
azane;3,4-dihydro-2H-pyrrole;hydrochloride
CID 70530754
(514C)3,4-dihydro-2H-pyrrole
CID 90686720
3,4-dihydro-2H-pyrrole;ethane
CID 90995957
3,4-dihydro-2H-pyrrole;ethane
CID 91064793
3,4-dihydro-2H-pyrrole;ethane
CID 91272137
3,4-dihydro-2H-pyrrole;hydroiodide
CID 129796568
3,4-dihydro-2H-pyrrole;hydrate;hydrochloride
CID 140990774

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrole;selane?
The IUPAC name of 3,4-dihydro-2H-pyrrole;selane (CID 172781345) is 3,4-dihydro-2H-pyrrole;selane.
What is the SMILES notation for 3,4-dihydro-2H-pyrrole;selane?
The canonical SMILES for 3,4-dihydro-2H-pyrrole;selane is C1=NCCC1.[SeH2].
What is the InChIKey of 3,4-dihydro-2H-pyrrole;selane?
The InChIKey is OHLAJEFBUYHWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.H2Se/c1-2-4-5-3-1;/h3H,1-2,4H2;1H2.
What are the key properties of 3,4-dihydro-2H-pyrrole;selane?
3,4-dihydro-2H-pyrrole;selane has a molecular weight of 150.08 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrole;selane is sourced from PubChem (CID 172781345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).