1-ethenyl-2-prop-2-enylpyrrolidine

C9H15N — CID 66838417

IUPAC1-ethenyl-2-prop-2-enylpyrrolidine
SMILESC=CCC1CCCN1C=C
InChIInChI=1S/C9H15N/c1-3-6-9-7-5-8-10(9)4-2/h3-4,9H,1-2,5-8H2
InChIKeyBOYPJUADOALVRV-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.17
Rot. Bonds3

About 1-ethenyl-2-prop-2-enylpyrrolidine

1-ethenyl-2-prop-2-enylpyrrolidine (PubChem CID 66838417) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-ethenyl-2-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name1-ethenyl-2-prop-2-enylpyrrolidine
PubChem CID66838417
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-ethenyl-2-prop-2-enylpyrrolidine
SMILESC=CCC1CCCN1C=C
InChIInChI=1S/C9H15N/c1-3-6-9-7-5-8-10(9)4-2/h3-4,9H,1-2,5-8H2
InChIKeyBOYPJUADOALVRV-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
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 1-ethenyl-2-prop-2-enylpyrrolidine?
The IUPAC name of 1-ethenyl-2-prop-2-enylpyrrolidine (CID 66838417) is 1-ethenyl-2-prop-2-enylpyrrolidine.
What is the SMILES notation for 1-ethenyl-2-prop-2-enylpyrrolidine?
The canonical SMILES for 1-ethenyl-2-prop-2-enylpyrrolidine is C=CCC1CCCN1C=C.
What is the InChIKey of 1-ethenyl-2-prop-2-enylpyrrolidine?
The InChIKey is BOYPJUADOALVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-6-9-7-5-8-10(9)4-2/h3-4,9H,1-2,5-8H2.
What are the key properties of 1-ethenyl-2-prop-2-enylpyrrolidine?
1-ethenyl-2-prop-2-enylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-prop-2-enylpyrrolidine is sourced from PubChem (CID 66838417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).