2,4-dimethyl-4-prop-2-enylpyrrolidine

C9H17N — CID 11332783

IUPAC2,4-dimethyl-4-prop-2-enylpyrrolidine
SMILESC=CCC1(C)CNC(C)C1
InChIInChI=1S/C9H17N/c1-4-5-9(3)6-8(2)10-7-9/h4,8,10H,1,5-7H2,2-3H3
InChIKeyFENPMKZVVSQHDD-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds2

About 2,4-dimethyl-4-prop-2-enylpyrrolidine

2,4-dimethyl-4-prop-2-enylpyrrolidine (PubChem CID 11332783) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,4-dimethyl-4-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name2,4-dimethyl-4-prop-2-enylpyrrolidine
PubChem CID11332783
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,4-dimethyl-4-prop-2-enylpyrrolidine
SMILESC=CCC1(C)CNC(C)C1
InChIInChI=1S/C9H17N/c1-4-5-9(3)6-8(2)10-7-9/h4,8,10H,1,5-7H2,2-3H3
InChIKeyFENPMKZVVSQHDD-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
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 2,4-dimethyl-4-prop-2-enylpyrrolidine?
The IUPAC name of 2,4-dimethyl-4-prop-2-enylpyrrolidine (CID 11332783) is 2,4-dimethyl-4-prop-2-enylpyrrolidine.
What is the SMILES notation for 2,4-dimethyl-4-prop-2-enylpyrrolidine?
The canonical SMILES for 2,4-dimethyl-4-prop-2-enylpyrrolidine is C=CCC1(C)CNC(C)C1.
What is the InChIKey of 2,4-dimethyl-4-prop-2-enylpyrrolidine?
The InChIKey is FENPMKZVVSQHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-9(3)6-8(2)10-7-9/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of 2,4-dimethyl-4-prop-2-enylpyrrolidine?
2,4-dimethyl-4-prop-2-enylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-prop-2-enylpyrrolidine is sourced from PubChem (CID 11332783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).