Se-phenyl 3-pyrrol-1-ylpropaneselenoate

C13H13NOSe — CID 11185014

IUPACSe-phenyl 3-pyrrol-1-ylpropaneselenoate
SMILESO=C(CCn1cccc1)[Se]c1ccccc1
InChIInChI=1S/C13H13NOSe/c15-13(8-11-14-9-4-5-10-14)16-12-6-2-1-3-7-12/h1-7,9-10H,8,11H2
InChIKeyJCYTXEMNHNCXMH-UHFFFAOYSA-N
MW278.21 g/mol
LogP1.43
Rot. Bonds5

About Se-phenyl 3-pyrrol-1-ylpropaneselenoate

Se-phenyl 3-pyrrol-1-ylpropaneselenoate (PubChem CID 11185014) has the molecular formula C13H13NOSe and a molecular weight of 278.21 g/mol. Its IUPAC name is Se-phenyl 3-pyrrol-1-ylpropaneselenoate.

Molecular Properties

Compound NameSe-phenyl 3-pyrrol-1-ylpropaneselenoate
PubChem CID11185014
Molecular FormulaC13H13NOSe
Molecular Weight278.21 g/mol
Exact Mass279.02
IUPAC NameSe-phenyl 3-pyrrol-1-ylpropaneselenoate
SMILESO=C(CCn1cccc1)[Se]c1ccccc1
InChIInChI=1S/C13H13NOSe/c15-13(8-11-14-9-4-5-10-14)16-12-6-2-1-3-7-12/h1-7,9-10H,8,11H2
InChIKeyJCYTXEMNHNCXMH-UHFFFAOYSA-N
XLogP1.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 51.43
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

4-pyrrol-1-ylbutan-2-one;3-pyrrol-1-ylpropanoic acid
CID 158202990
1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343141
N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
CID 110688754
N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide
CID 3236679
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 110688701
N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide
CID 110688727
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
N-(2-methoxyethyl)-3-pyrrol-1-ylpropanamide
CID 110688667
N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide
CID 75509288
2-[carboxymethyl(2-pyrrol-1-ylethyl)amino]acetic acid
CID 69020828
N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide
CID 46343167
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935

Frequently Asked Questions

What is the IUPAC name of Se-phenyl 3-pyrrol-1-ylpropaneselenoate?
The IUPAC name of Se-phenyl 3-pyrrol-1-ylpropaneselenoate (CID 11185014) is Se-phenyl 3-pyrrol-1-ylpropaneselenoate.
What is the SMILES notation for Se-phenyl 3-pyrrol-1-ylpropaneselenoate?
The canonical SMILES for Se-phenyl 3-pyrrol-1-ylpropaneselenoate is O=C(CCn1cccc1)[Se]c1ccccc1.
What is the InChIKey of Se-phenyl 3-pyrrol-1-ylpropaneselenoate?
The InChIKey is JCYTXEMNHNCXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOSe/c15-13(8-11-14-9-4-5-10-14)16-12-6-2-1-3-7-12/h1-7,9-10H,8,11H2.
What are the key properties of Se-phenyl 3-pyrrol-1-ylpropaneselenoate?
Se-phenyl 3-pyrrol-1-ylpropaneselenoate has a molecular weight of 278.21 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl 3-pyrrol-1-ylpropaneselenoate is sourced from PubChem (CID 11185014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).