1-pent-3-en-2-ylimidazolidine

C8H16N2 — CID 70169411

IUPAC1-pent-3-en-2-ylimidazolidine
SMILESCC=CC(C)N1CCNC1
InChIInChI=1S/C8H16N2/c1-3-4-8(2)10-6-5-9-7-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyFIPLFZJGOPVENM-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.81
Rot. Bonds2

About 1-pent-3-en-2-ylimidazolidine

1-pent-3-en-2-ylimidazolidine (PubChem CID 70169411) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-pent-3-en-2-ylimidazolidine.

Molecular Properties

Compound Name1-pent-3-en-2-ylimidazolidine
PubChem CID70169411
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-pent-3-en-2-ylimidazolidine
SMILESCC=CC(C)N1CCNC1
InChIInChI=1S/C8H16N2/c1-3-4-8(2)10-6-5-9-7-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyFIPLFZJGOPVENM-UHFFFAOYSA-N
XLogP0.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
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 1-pent-3-en-2-ylimidazolidine?
The IUPAC name of 1-pent-3-en-2-ylimidazolidine (CID 70169411) is 1-pent-3-en-2-ylimidazolidine.
What is the SMILES notation for 1-pent-3-en-2-ylimidazolidine?
The canonical SMILES for 1-pent-3-en-2-ylimidazolidine is CC=CC(C)N1CCNC1.
What is the InChIKey of 1-pent-3-en-2-ylimidazolidine?
The InChIKey is FIPLFZJGOPVENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-8(2)10-6-5-9-7-10/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 1-pent-3-en-2-ylimidazolidine?
1-pent-3-en-2-ylimidazolidine has a molecular weight of 140.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-en-2-ylimidazolidine is sourced from PubChem (CID 70169411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).