copper;bis(2,3-dihydro-1H-pyrrole)

C8H14CuN2 — CID 172686548

IUPACcopper;bis(2,3-dihydro-1H-pyrrole)
SMILESC1=CNCC1.C1=CNCC1.[Cu]
InChIInChI=1S/2C4H7N.Cu/c2*1-2-4-5-3-1;/h2*1,3,5H,2,4H2;
InChIKeyBCPFBVUTEDDWHC-UHFFFAOYSA-N
MW201.76 g/mol
LogP0.98
Rot. Bonds

About copper;bis(2,3-dihydro-1H-pyrrole)

copper;bis(2,3-dihydro-1H-pyrrole) (PubChem CID 172686548) has the molecular formula C8H14CuN2 and a molecular weight of 201.76 g/mol. Its IUPAC name is copper;bis(2,3-dihydro-1H-pyrrole).

Molecular Properties

Compound Namecopper;bis(2,3-dihydro-1H-pyrrole)
PubChem CID172686548
Molecular FormulaC8H14CuN2
Molecular Weight201.76 g/mol
Exact Mass201.05
IUPAC Namecopper;bis(2,3-dihydro-1H-pyrrole)
SMILESC1=CNCC1.C1=CNCC1.[Cu]
InChIInChI=1S/2C4H7N.Cu/c2*1-2-4-5-3-1;/h2*1,3,5H,2,4H2;
InChIKeyBCPFBVUTEDDWHC-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.76
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of copper;bis(2,3-dihydro-1H-pyrrole)?
The IUPAC name of copper;bis(2,3-dihydro-1H-pyrrole) (CID 172686548) is copper;bis(2,3-dihydro-1H-pyrrole).
What is the SMILES notation for copper;bis(2,3-dihydro-1H-pyrrole)?
The canonical SMILES for copper;bis(2,3-dihydro-1H-pyrrole) is C1=CNCC1.C1=CNCC1.[Cu].
What is the InChIKey of copper;bis(2,3-dihydro-1H-pyrrole)?
The InChIKey is BCPFBVUTEDDWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7N.Cu/c2*1-2-4-5-3-1;/h2*1,3,5H,2,4H2;.
What are the key properties of copper;bis(2,3-dihydro-1H-pyrrole)?
copper;bis(2,3-dihydro-1H-pyrrole) has a molecular weight of 201.76 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2,3-dihydro-1H-pyrrole) is sourced from PubChem (CID 172686548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).