(E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone

C14H17NOSe — CID 11119937

IUPAC(E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone
SMILESCOc1ccccc1/C=C/C(=[Se])N1CCCC1
InChIInChI=1S/C14H17NOSe/c1-16-13-7-3-2-6-12(13)8-9-14(17)15-10-4-5-11-15/h2-3,6-9H,4-5,10-11H2,1H3/b9-8+
InChIKeyFJNZBDCUGXFPLL-CMDGGOBGSA-N
MW294.26 g/mol
LogP2.10
Rot. Bonds4

About (E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone

(E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone (PubChem CID 11119937) has the molecular formula C14H17NOSe and a molecular weight of 294.26 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone
PubChem CID11119937
Molecular FormulaC14H17NOSe
Molecular Weight294.26 g/mol
Exact Mass295.05
IUPAC Name(E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone
SMILESCOc1ccccc1/C=C/C(=[Se])N1CCCC1
InChIInChI=1S/C14H17NOSe/c1-16-13-7-3-2-6-12(13)8-9-14(17)15-10-4-5-11-15/h2-3,6-9H,4-5,10-11H2,1H3/b9-8+
InChIKeyFJNZBDCUGXFPLL-CMDGGOBGSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2371643
N-(azepane-1-carbothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 927039
(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 46559839
1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 102603388
(E)-1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 108935060
1-[3-(2-methoxyphenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 126771752
methyl 1-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 43410239
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
(E)-3-(2-methoxyphenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 26168074
(2-oxo-2-pyrrolidin-1-ylethyl) 3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 3472296

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone?
The IUPAC name of (E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone (CID 11119937) is (E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone is COc1ccccc1/C=C/C(=[Se])N1CCCC1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone?
The InChIKey is FJNZBDCUGXFPLL-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17NOSe/c1-16-13-7-3-2-6-12(13)8-9-14(17)15-10-4-5-11-15/h2-3,6-9H,4-5,10-11H2,1H3/b9-8+.
What are the key properties of (E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone?
(E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone has a molecular weight of 294.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-ene-1-selone is sourced from PubChem (CID 11119937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).