5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one

C9H12INO — CID 89220038

IUPAC5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one
SMILESC=CC1NC(=O)CC1/C(I)=C\C
InChIInChI=1S/C9H12INO/c1-3-7(10)6-5-9(12)11-8(6)4-2/h3-4,6,8H,2,5H2,1H3,(H,11,12)/b7-3+
InChIKeyZOOCFQXECRKCCN-XVNBXDOJSA-N
MW277.11 g/mol
LogP2.02
Rot. Bonds2

About 5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one

5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one (PubChem CID 89220038) has the molecular formula C9H12INO and a molecular weight of 277.11 g/mol. Its IUPAC name is 5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one
PubChem CID89220038
Molecular FormulaC9H12INO
Molecular Weight277.11 g/mol
Exact Mass277.00
IUPAC Name5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one
SMILESC=CC1NC(=O)CC1/C(I)=C\C
InChIInChI=1S/C9H12INO/c1-3-7(10)6-5-9(12)11-8(6)4-2/h3-4,6,8H,2,5H2,1H3,(H,11,12)/b7-3+
InChIKeyZOOCFQXECRKCCN-XVNBXDOJSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one?
The IUPAC name of 5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one (CID 89220038) is 5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for 5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one?
The canonical SMILES for 5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one is C=CC1NC(=O)CC1/C(I)=C\C.
What is the InChIKey of 5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one?
The InChIKey is ZOOCFQXECRKCCN-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H12INO/c1-3-7(10)6-5-9(12)11-8(6)4-2/h3-4,6,8H,2,5H2,1H3,(H,11,12)/b7-3+.
What are the key properties of 5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one?
5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one has a molecular weight of 277.11 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[(E)-1-iodoprop-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 89220038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).