1-(1-iodooctyl)pyrrolidin-2-one

C12H22INO — CID 69466258

IUPAC1-(1-iodooctyl)pyrrolidin-2-one
SMILESCCCCCCCC(I)N1CCCC1=O
InChIInChI=1S/C12H22INO/c1-2-3-4-5-6-8-11(13)14-10-7-9-12(14)15/h11H,2-10H2,1H3
InChIKeySQOYXUCQBQHJGV-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.73
Rot. Bonds7

About 1-(1-iodooctyl)pyrrolidin-2-one

1-(1-iodooctyl)pyrrolidin-2-one (PubChem CID 69466258) has the molecular formula C12H22INO and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-(1-iodooctyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-iodooctyl)pyrrolidin-2-one
PubChem CID69466258
Molecular FormulaC12H22INO
Molecular Weight323.22 g/mol
Exact Mass323.07
IUPAC Name1-(1-iodooctyl)pyrrolidin-2-one
SMILESCCCCCCCC(I)N1CCCC1=O
InChIInChI=1S/C12H22INO/c1-2-3-4-5-6-8-11(13)14-10-7-9-12(14)15/h11H,2-10H2,1H3
InChIKeySQOYXUCQBQHJGV-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-iodooctyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-iodooctyl)pyrrolidin-2-one (CID 69466258) is 1-(1-iodooctyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-iodooctyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-iodooctyl)pyrrolidin-2-one is CCCCCCCC(I)N1CCCC1=O.
What is the InChIKey of 1-(1-iodooctyl)pyrrolidin-2-one?
The InChIKey is SQOYXUCQBQHJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22INO/c1-2-3-4-5-6-8-11(13)14-10-7-9-12(14)15/h11H,2-10H2,1H3.
What are the key properties of 1-(1-iodooctyl)pyrrolidin-2-one?
1-(1-iodooctyl)pyrrolidin-2-one has a molecular weight of 323.22 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodooctyl)pyrrolidin-2-one is sourced from PubChem (CID 69466258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).