1-hexan-2-ylpiperidine-2,4-dione

C11H19NO2 — CID 79517147

IUPAC1-hexan-2-ylpiperidine-2,4-dione
SMILESCCCCC(C)N1CCC(=O)CC1=O
InChIInChI=1S/C11H19NO2/c1-3-4-5-9(2)12-7-6-10(13)8-11(12)14/h9H,3-8H2,1-2H3
InChIKeyXGTUFSDXDCPKID-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.76
Rot. Bonds4

About 1-hexan-2-ylpiperidine-2,4-dione

1-hexan-2-ylpiperidine-2,4-dione (PubChem CID 79517147) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-hexan-2-ylpiperidine-2,4-dione.

Molecular Properties

Compound Name1-hexan-2-ylpiperidine-2,4-dione
PubChem CID79517147
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-hexan-2-ylpiperidine-2,4-dione
SMILESCCCCC(C)N1CCC(=O)CC1=O
InChIInChI=1S/C11H19NO2/c1-3-4-5-9(2)12-7-6-10(13)8-11(12)14/h9H,3-8H2,1-2H3
InChIKeyXGTUFSDXDCPKID-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-ylpiperidine-2,4-dione?
The IUPAC name of 1-hexan-2-ylpiperidine-2,4-dione (CID 79517147) is 1-hexan-2-ylpiperidine-2,4-dione.
What is the SMILES notation for 1-hexan-2-ylpiperidine-2,4-dione?
The canonical SMILES for 1-hexan-2-ylpiperidine-2,4-dione is CCCCC(C)N1CCC(=O)CC1=O.
What is the InChIKey of 1-hexan-2-ylpiperidine-2,4-dione?
The InChIKey is XGTUFSDXDCPKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-5-9(2)12-7-6-10(13)8-11(12)14/h9H,3-8H2,1-2H3.
What are the key properties of 1-hexan-2-ylpiperidine-2,4-dione?
1-hexan-2-ylpiperidine-2,4-dione has a molecular weight of 197.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-ylpiperidine-2,4-dione is sourced from PubChem (CID 79517147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).