(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone

C12H19NO2Se — CID 11748200

IUPAC(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone
SMILESCC1(C)OC[C@H](/C=C/C(=[Se])N2CCCC2)O1
InChIInChI=1S/C12H19NO2Se/c1-12(2)14-9-10(15-12)5-6-11(16)13-7-3-4-8-13/h5-6,10H,3-4,7-9H2,1-2H3/b6-5+/t10-/m0/s1
InChIKeyUWXFYGMUGAMQEG-PORFMDCZSA-N
MW288.25 g/mol
LogP1.09
Rot. Bonds3

About (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone

(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone (PubChem CID 11748200) has the molecular formula C12H19NO2Se and a molecular weight of 288.25 g/mol. Its IUPAC name is (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone.

Molecular Properties

Compound Name(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone
PubChem CID11748200
Molecular FormulaC12H19NO2Se
Molecular Weight288.25 g/mol
Exact Mass289.06
IUPAC Name(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone
SMILESCC1(C)OC[C@H](/C=C/C(=[Se])N2CCCC2)O1
InChIInChI=1S/C12H19NO2Se/c1-12(2)14-9-10(15-12)5-6-11(16)13-7-3-4-8-13/h5-6,10H,3-4,7-9H2,1-2H3/b6-5+/t10-/m0/s1
InChIKeyUWXFYGMUGAMQEG-PORFMDCZSA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
(E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 12861744
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol
CID 131235695
1-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-1-en-3-one
CID 71339409
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-one
CID 71352243
(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
CID 89090378
3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enal
CID 72833007
4-(3-bromoprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72828688
(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane
CID 21178132
[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]-trimethylsilane
CID 11275935
(4S)-2,2-dimethyl-4-[(1Z)-octa-1,7-dienyl]-1,3-dioxolane
CID 10536443
[(E)-1-acetyloxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 101109016

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone?
The IUPAC name of (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone (CID 11748200) is (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone.
What is the SMILES notation for (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone?
The canonical SMILES for (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone is CC1(C)OC[C@H](/C=C/C(=[Se])N2CCCC2)O1.
What is the InChIKey of (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone?
The InChIKey is UWXFYGMUGAMQEG-PORFMDCZSA-N. The full InChI is InChI=1S/C12H19NO2Se/c1-12(2)14-9-10(15-12)5-6-11(16)13-7-3-4-8-13/h5-6,10H,3-4,7-9H2,1-2H3/b6-5+/t10-/m0/s1.
What are the key properties of (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone?
(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone has a molecular weight of 288.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-pyrrolidin-1-ylprop-2-ene-1-selone is sourced from PubChem (CID 11748200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).