1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

C9H13NO3Se — CID 137350011

IUPAC1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESC=C(C[SeH])C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H13NO3Se/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h7,14H,1-5H2,(H,12,13)
InChIKeyYLSOIJMYGUURIT-UHFFFAOYSA-N
MW262.17 g/mol
LogP-0.06
Rot. Bonds3

About 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid (PubChem CID 137350011) has the molecular formula C9H13NO3Se and a molecular weight of 262.17 g/mol. Its IUPAC name is 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
PubChem CID137350011
Molecular FormulaC9H13NO3Se
Molecular Weight262.17 g/mol
Exact Mass263.01
IUPAC Name1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESC=C(C[SeH])C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H13NO3Se/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h7,14H,1-5H2,(H,12,13)
InChIKeyYLSOIJMYGUURIT-UHFFFAOYSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid (CID 137350011) is 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid is C=C(C[SeH])C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YLSOIJMYGUURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3Se/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h7,14H,1-5H2,(H,12,13).
What are the key properties of 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid?
1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 262.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 137350011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).