1-(1-iodocyclohexyl)pyrrolidin-2-one

C10H16INO — CID 69102519

IUPAC1-(1-iodocyclohexyl)pyrrolidin-2-one
SMILESO=C1CCCN1C1(I)CCCCC1
InChIInChI=1S/C10H16INO/c11-10(6-2-1-3-7-10)12-8-4-5-9(12)13/h1-8H2
InChIKeyXDRMUENXVQHCLX-UHFFFAOYSA-N
MW293.15 g/mol
LogP2.70
Rot. Bonds1

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

1-(1-iodocyclohexyl)pyrrolidin-2-one (PubChem CID 69102519) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is 1-(1-iodocyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-iodocyclohexyl)pyrrolidin-2-one
PubChem CID69102519
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC Name1-(1-iodocyclohexyl)pyrrolidin-2-one
SMILESO=C1CCCN1C1(I)CCCCC1
InChIInChI=1S/C10H16INO/c11-10(6-2-1-3-7-10)12-8-4-5-9(12)13/h1-8H2
InChIKeyXDRMUENXVQHCLX-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.70
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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-iodocyclohexyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-iodocyclohexyl)pyrrolidin-2-one (CID 69102519) is 1-(1-iodocyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-iodocyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-iodocyclohexyl)pyrrolidin-2-one is O=C1CCCN1C1(I)CCCCC1.
What is the InChIKey of 1-(1-iodocyclohexyl)pyrrolidin-2-one?
The InChIKey is XDRMUENXVQHCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO/c11-10(6-2-1-3-7-10)12-8-4-5-9(12)13/h1-8H2.
What are the key properties of 1-(1-iodocyclohexyl)pyrrolidin-2-one?
1-(1-iodocyclohexyl)pyrrolidin-2-one has a molecular weight of 293.15 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodocyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 69102519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).