(5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one

C8H12INO — CID 10015692

IUPAC(5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one
SMILESC=C[C@@H]1CCC(=O)N1CCI
InChIInChI=1S/C8H12INO/c1-2-7-3-4-8(11)10(7)6-5-9/h2,7H,1,3-6H2/t7-/m1/s1
InChIKeyNTWLBJRGKXNBRO-SSDOTTSWSA-N
MW265.09 g/mol
LogP1.60
Rot. Bonds3

About (5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one

(5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one (PubChem CID 10015692) has the molecular formula C8H12INO and a molecular weight of 265.09 g/mol. Its IUPAC name is (5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one
PubChem CID10015692
Molecular FormulaC8H12INO
Molecular Weight265.09 g/mol
Exact Mass265.00
IUPAC Name(5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one
SMILESC=C[C@@H]1CCC(=O)N1CCI
InChIInChI=1S/C8H12INO/c1-2-7-3-4-8(11)10(7)6-5-9/h2,7H,1,3-6H2/t7-/m1/s1
InChIKeyNTWLBJRGKXNBRO-SSDOTTSWSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one (CID 10015692) is (5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one is C=C[C@@H]1CCC(=O)N1CCI.
What is the InChIKey of (5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one?
The InChIKey is NTWLBJRGKXNBRO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12INO/c1-2-7-3-4-8(11)10(7)6-5-9/h2,7H,1,3-6H2/t7-/m1/s1.
What are the key properties of (5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one?
(5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one has a molecular weight of 265.09 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenyl-1-(2-iodoethyl)pyrrolidin-2-one is sourced from PubChem (CID 10015692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).