2-pent-2-enylimidazolidine

C8H16N2 — CID 70166734

IUPAC2-pent-2-enylimidazolidine
SMILESCCC=CCC1NCCN1
InChIInChI=1S/C8H16N2/c1-2-3-4-5-8-9-6-7-10-8/h3-4,8-10H,2,5-7H2,1H3
InChIKeyIATYXFMYPZCOFL-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.86
Rot. Bonds3

About 2-pent-2-enylimidazolidine

2-pent-2-enylimidazolidine (PubChem CID 70166734) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-pent-2-enylimidazolidine.

Molecular Properties

Compound Name2-pent-2-enylimidazolidine
PubChem CID70166734
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-pent-2-enylimidazolidine
SMILESCCC=CCC1NCCN1
InChIInChI=1S/C8H16N2/c1-2-3-4-5-8-9-6-7-10-8/h3-4,8-10H,2,5-7H2,1H3
InChIKeyIATYXFMYPZCOFL-UHFFFAOYSA-N
XLogP0.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-pent-2-enylimidazolidine?
The IUPAC name of 2-pent-2-enylimidazolidine (CID 70166734) is 2-pent-2-enylimidazolidine.
What is the SMILES notation for 2-pent-2-enylimidazolidine?
The canonical SMILES for 2-pent-2-enylimidazolidine is CCC=CCC1NCCN1.
What is the InChIKey of 2-pent-2-enylimidazolidine?
The InChIKey is IATYXFMYPZCOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-3-4-5-8-9-6-7-10-8/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of 2-pent-2-enylimidazolidine?
2-pent-2-enylimidazolidine has a molecular weight of 140.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-2-enylimidazolidine is sourced from PubChem (CID 70166734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).