1-(1-iodoprop-2-enyl)pyrrolidin-2-one

C7H10INO — CID 139350040

IUPAC1-(1-iodoprop-2-enyl)pyrrolidin-2-one
SMILESC=CC(I)N1CCCC1=O
InChIInChI=1S/C7H10INO/c1-2-6(8)9-5-3-4-7(9)10/h2,6H,1,3-5H2
InChIKeyUPTDQDDEKRLGDL-UHFFFAOYSA-N
MW251.07 g/mol
LogP1.56
Rot. Bonds2

About 1-(1-iodoprop-2-enyl)pyrrolidin-2-one

1-(1-iodoprop-2-enyl)pyrrolidin-2-one (PubChem CID 139350040) has the molecular formula C7H10INO and a molecular weight of 251.07 g/mol. Its IUPAC name is 1-(1-iodoprop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-iodoprop-2-enyl)pyrrolidin-2-one
PubChem CID139350040
Molecular FormulaC7H10INO
Molecular Weight251.07 g/mol
Exact Mass250.98
IUPAC Name1-(1-iodoprop-2-enyl)pyrrolidin-2-one
SMILESC=CC(I)N1CCCC1=O
InChIInChI=1S/C7H10INO/c1-2-6(8)9-5-3-4-7(9)10/h2,6H,1,3-5H2
InChIKeyUPTDQDDEKRLGDL-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.56
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoprop-2-enyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-iodoprop-2-enyl)pyrrolidin-2-one (CID 139350040) is 1-(1-iodoprop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-iodoprop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-iodoprop-2-enyl)pyrrolidin-2-one is C=CC(I)N1CCCC1=O.
What is the InChIKey of 1-(1-iodoprop-2-enyl)pyrrolidin-2-one?
The InChIKey is UPTDQDDEKRLGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO/c1-2-6(8)9-5-3-4-7(9)10/h2,6H,1,3-5H2.
What are the key properties of 1-(1-iodoprop-2-enyl)pyrrolidin-2-one?
1-(1-iodoprop-2-enyl)pyrrolidin-2-one has a molecular weight of 251.07 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoprop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 139350040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).