2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole

C11H11NSe — CID 87256179

IUPAC2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole
SMILESC=CCc1cc[se]c1-c1ccc[nH]1
InChIInChI=1S/C11H11NSe/c1-2-4-9-6-8-13-11(9)10-5-3-7-12-10/h2-3,5-8,12H,1,4H2
InChIKeyCGABGNATBIJOQX-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.47
Rot. Bonds3

About 2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole

2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole (PubChem CID 87256179) has the molecular formula C11H11NSe and a molecular weight of 236.18 g/mol. Its IUPAC name is 2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole
PubChem CID87256179
Molecular FormulaC11H11NSe
Molecular Weight236.18 g/mol
Exact Mass237.01
IUPAC Name2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole
SMILESC=CCc1cc[se]c1-c1ccc[nH]1
InChIInChI=1S/C11H11NSe/c1-2-4-9-6-8-13-11(9)10-5-3-7-12-10/h2-3,5-8,12H,1,4H2
InChIKeyCGABGNATBIJOQX-UHFFFAOYSA-N
XLogP2.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole?
The IUPAC name of 2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole (CID 87256179) is 2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole?
The canonical SMILES for 2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole is C=CCc1cc[se]c1-c1ccc[nH]1.
What is the InChIKey of 2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole?
The InChIKey is CGABGNATBIJOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NSe/c1-2-4-9-6-8-13-11(9)10-5-3-7-12-10/h2-3,5-8,12H,1,4H2.
What are the key properties of 2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole?
2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole has a molecular weight of 236.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enylselenophen-2-yl)-1H-pyrrole is sourced from PubChem (CID 87256179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).