1-pyrrolidin-1-ylpent-4-ene-1-selone

C9H15NSe — CID 11298877

IUPAC1-pyrrolidin-1-ylpent-4-ene-1-selone
SMILESC=CCCC(=[Se])N1CCCC1
InChIInChI=1S/C9H15NSe/c1-2-3-6-9(11)10-7-4-5-8-10/h2H,1,3-8H2
InChIKeyCINQYDSGQXBMRF-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.35
Rot. Bonds4

About 1-pyrrolidin-1-ylpent-4-ene-1-selone

1-pyrrolidin-1-ylpent-4-ene-1-selone (PubChem CID 11298877) has the molecular formula C9H15NSe and a molecular weight of 216.19 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylpent-4-ene-1-selone.

Molecular Properties

Compound Name1-pyrrolidin-1-ylpent-4-ene-1-selone
PubChem CID11298877
Molecular FormulaC9H15NSe
Molecular Weight216.19 g/mol
Exact Mass217.04
IUPAC Name1-pyrrolidin-1-ylpent-4-ene-1-selone
SMILESC=CCCC(=[Se])N1CCCC1
InChIInChI=1S/C9H15NSe/c1-2-3-6-9(11)10-7-4-5-8-10/h2H,1,3-8H2
InChIKeyCINQYDSGQXBMRF-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylpent-4-ene-1-selone?
The IUPAC name of 1-pyrrolidin-1-ylpent-4-ene-1-selone (CID 11298877) is 1-pyrrolidin-1-ylpent-4-ene-1-selone.
What is the SMILES notation for 1-pyrrolidin-1-ylpent-4-ene-1-selone?
The canonical SMILES for 1-pyrrolidin-1-ylpent-4-ene-1-selone is C=CCCC(=[Se])N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylpent-4-ene-1-selone?
The InChIKey is CINQYDSGQXBMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NSe/c1-2-3-6-9(11)10-7-4-5-8-10/h2H,1,3-8H2.
What are the key properties of 1-pyrrolidin-1-ylpent-4-ene-1-selone?
1-pyrrolidin-1-ylpent-4-ene-1-selone has a molecular weight of 216.19 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylpent-4-ene-1-selone is sourced from PubChem (CID 11298877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).