5-(4-chlorocyclohexyl)pyrrolidin-2-one

C10H16ClNO — CID 122491329

IUPAC5-(4-chlorocyclohexyl)pyrrolidin-2-one
SMILESO=C1CCC(C2CCC(Cl)CC2)N1
InChIInChI=1S/C10H16ClNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h7-9H,1-6H2,(H,12,13)
InChIKeyHFYQPIJRFGFHTI-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.06
Rot. Bonds1

About 5-(4-chlorocyclohexyl)pyrrolidin-2-one

5-(4-chlorocyclohexyl)pyrrolidin-2-one (PubChem CID 122491329) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 5-(4-chlorocyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-chlorocyclohexyl)pyrrolidin-2-one
PubChem CID122491329
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name5-(4-chlorocyclohexyl)pyrrolidin-2-one
SMILESO=C1CCC(C2CCC(Cl)CC2)N1
InChIInChI=1S/C10H16ClNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h7-9H,1-6H2,(H,12,13)
InChIKeyHFYQPIJRFGFHTI-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorocyclohexyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-chlorocyclohexyl)pyrrolidin-2-one (CID 122491329) is 5-(4-chlorocyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-chlorocyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-chlorocyclohexyl)pyrrolidin-2-one is O=C1CCC(C2CCC(Cl)CC2)N1.
What is the InChIKey of 5-(4-chlorocyclohexyl)pyrrolidin-2-one?
The InChIKey is HFYQPIJRFGFHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h7-9H,1-6H2,(H,12,13).
What are the key properties of 5-(4-chlorocyclohexyl)pyrrolidin-2-one?
5-(4-chlorocyclohexyl)pyrrolidin-2-one has a molecular weight of 201.70 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorocyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 122491329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).