3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione

C11H18N2O2 — CID 167118928

IUPAC3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione
SMILESC=C(C)CC(C)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H18N2O2/c1-7(2)6-8(3)12-9-4-5-10(14)13-11(9)15/h8-9,12H,1,4-6H2,2-3H3,(H,13,14,15)
InChIKeyRVJWOEHRDGBUGL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.74
Rot. Bonds4

About 3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione

3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione (PubChem CID 167118928) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione
PubChem CID167118928
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione
SMILESC=C(C)CC(C)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H18N2O2/c1-7(2)6-8(3)12-9-4-5-10(14)13-11(9)15/h8-9,12H,1,4-6H2,2-3H3,(H,13,14,15)
InChIKeyRVJWOEHRDGBUGL-UHFFFAOYSA-N
XLogP0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione?
The IUPAC name of 3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione (CID 167118928) is 3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione is C=C(C)CC(C)NC1CCC(=O)NC1=O.
What is the InChIKey of 3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione?
The InChIKey is RVJWOEHRDGBUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)6-8(3)12-9-4-5-10(14)13-11(9)15/h8-9,12H,1,4-6H2,2-3H3,(H,13,14,15).
What are the key properties of 3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione?
3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione has a molecular weight of 210.28 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpent-4-en-2-ylamino)piperidine-2,6-dione is sourced from PubChem (CID 167118928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).