1,3-dimethylpiperidine-2,4-dione

C7H11NO2 — CID 19756877

IUPAC1,3-dimethylpiperidine-2,4-dione
SMILESCC1C(=O)CCN(C)C1=O
InChIInChI=1S/C7H11NO2/c1-5-6(9)3-4-8(2)7(5)10/h5H,3-4H2,1-2H3
InChIKeyPFVRVFCIXIYUMV-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.05
Rot. Bonds

About 1,3-dimethylpiperidine-2,4-dione

1,3-dimethylpiperidine-2,4-dione (PubChem CID 19756877) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1,3-dimethylpiperidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethylpiperidine-2,4-dione
PubChem CID19756877
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1,3-dimethylpiperidine-2,4-dione
SMILESCC1C(=O)CCN(C)C1=O
InChIInChI=1S/C7H11NO2/c1-5-6(9)3-4-8(2)7(5)10/h5H,3-4H2,1-2H3
InChIKeyPFVRVFCIXIYUMV-UHFFFAOYSA-N
XLogP0.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.05
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 1,3-dimethylpiperidine-2,4-dione?
The IUPAC name of 1,3-dimethylpiperidine-2,4-dione (CID 19756877) is 1,3-dimethylpiperidine-2,4-dione.
What is the SMILES notation for 1,3-dimethylpiperidine-2,4-dione?
The canonical SMILES for 1,3-dimethylpiperidine-2,4-dione is CC1C(=O)CCN(C)C1=O.
What is the InChIKey of 1,3-dimethylpiperidine-2,4-dione?
The InChIKey is PFVRVFCIXIYUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-6(9)3-4-8(2)7(5)10/h5H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethylpiperidine-2,4-dione?
1,3-dimethylpiperidine-2,4-dione has a molecular weight of 141.17 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperidine-2,4-dione is sourced from PubChem (CID 19756877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).