ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium

C9H20NRe- — CID 171658478

IUPACethane;1-propan-2-ylpyrrolidin-4-ide;rhenium
SMILESCC.CC(C)N1C[CH-]CC1.[Re]
InChIInChI=1S/C7H14N.C2H6.Re/c1-7(2)8-5-3-4-6-8;1-2;/h3,7H,4-6H2,1-2H3;1-2H3;/q-1;;
InChIKeyKUZMRQCRSONSCK-UHFFFAOYSA-N
MW328.47 g/mol
LogP2.33
Rot. Bonds1

About ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium

ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium (PubChem CID 171658478) has the molecular formula C9H20NRe- and a molecular weight of 328.47 g/mol. Its IUPAC name is ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium.

Molecular Properties

Compound Nameethane;1-propan-2-ylpyrrolidin-4-ide;rhenium
PubChem CID171658478
Molecular FormulaC9H20NRe-
Molecular Weight328.47 g/mol
Exact Mass329.12
IUPAC Nameethane;1-propan-2-ylpyrrolidin-4-ide;rhenium
SMILESCC.CC(C)N1C[CH-]CC1.[Re]
InChIInChI=1S/C7H14N.C2H6.Re/c1-7(2)8-5-3-4-6-8;1-2;/h3,7H,4-6H2,1-2H3;1-2H3;/q-1;;
InChIKeyKUZMRQCRSONSCK-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane;1-propan-2-ylpyrrolidine
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1-propan-2-ylpiperidine;hydrobromide
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ethane;1-methylazepane;1-propan-2-ylpiperidine
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Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium?
The IUPAC name of ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium (CID 171658478) is ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium.
What is the SMILES notation for ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium?
The canonical SMILES for ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium is CC.CC(C)N1C[CH-]CC1.[Re].
What is the InChIKey of ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium?
The InChIKey is KUZMRQCRSONSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N.C2H6.Re/c1-7(2)8-5-3-4-6-8;1-2;/h3,7H,4-6H2,1-2H3;1-2H3;/q-1;;.
What are the key properties of ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium?
ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium has a molecular weight of 328.47 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium is sourced from PubChem (CID 171658478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).