ethane;2-prop-1-en-2-ylpyrrolidine

C11H25N — CID 142978633

IUPACethane;2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CCCN1.CC.CC
InChIInChI=1S/C7H13N.2C2H6/c1-6(2)7-4-3-5-8-7;2*1-2/h7-8H,1,3-5H2,2H3;2*1-2H3
InChIKeyJVUXZYPOYODIPB-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.37
Rot. Bonds1

About ethane;2-prop-1-en-2-ylpyrrolidine

ethane;2-prop-1-en-2-ylpyrrolidine (PubChem CID 142978633) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;2-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;2-prop-1-en-2-ylpyrrolidine
PubChem CID142978633
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CCCN1.CC.CC
InChIInChI=1S/C7H13N.2C2H6/c1-6(2)7-4-3-5-8-7;2*1-2/h7-8H,1,3-5H2,2H3;2*1-2H3
InChIKeyJVUXZYPOYODIPB-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-prop-1-en-2-ylpyrrolidine?
The IUPAC name of ethane;2-prop-1-en-2-ylpyrrolidine (CID 142978633) is ethane;2-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for ethane;2-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for ethane;2-prop-1-en-2-ylpyrrolidine is C=C(C)C1CCCN1.CC.CC.
What is the InChIKey of ethane;2-prop-1-en-2-ylpyrrolidine?
The InChIKey is JVUXZYPOYODIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.2C2H6/c1-6(2)7-4-3-5-8-7;2*1-2/h7-8H,1,3-5H2,2H3;2*1-2H3.
What are the key properties of ethane;2-prop-1-en-2-ylpyrrolidine?
ethane;2-prop-1-en-2-ylpyrrolidine has a molecular weight of 171.33 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 142978633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).