3-(3-methylbut-3-enylamino)piperidine-2,6-dione

C10H16N2O2 — CID 114472384

IUPAC3-(3-methylbut-3-enylamino)piperidine-2,6-dione
SMILESC=C(C)CCNC1CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O2/c1-7(2)5-6-11-8-3-4-9(13)12-10(8)14/h8,11H,1,3-6H2,2H3,(H,12,13,14)
InChIKeyMNOFPOIVBBAHLI-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.35
Rot. Bonds4

About 3-(3-methylbut-3-enylamino)piperidine-2,6-dione

3-(3-methylbut-3-enylamino)piperidine-2,6-dione (PubChem CID 114472384) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3-methylbut-3-enylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methylbut-3-enylamino)piperidine-2,6-dione
PubChem CID114472384
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(3-methylbut-3-enylamino)piperidine-2,6-dione
SMILESC=C(C)CCNC1CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O2/c1-7(2)5-6-11-8-3-4-9(13)12-10(8)14/h8,11H,1,3-6H2,2H3,(H,12,13,14)
InChIKeyMNOFPOIVBBAHLI-UHFFFAOYSA-N
XLogP0.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.35
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-(3-methylbut-3-enylamino)piperidine-2,6-dione?
The IUPAC name of 3-(3-methylbut-3-enylamino)piperidine-2,6-dione (CID 114472384) is 3-(3-methylbut-3-enylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-methylbut-3-enylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(3-methylbut-3-enylamino)piperidine-2,6-dione is C=C(C)CCNC1CCC(=O)NC1=O.
What is the InChIKey of 3-(3-methylbut-3-enylamino)piperidine-2,6-dione?
The InChIKey is MNOFPOIVBBAHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)5-6-11-8-3-4-9(13)12-10(8)14/h8,11H,1,3-6H2,2H3,(H,12,13,14).
What are the key properties of 3-(3-methylbut-3-enylamino)piperidine-2,6-dione?
3-(3-methylbut-3-enylamino)piperidine-2,6-dione has a molecular weight of 196.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-3-enylamino)piperidine-2,6-dione is sourced from PubChem (CID 114472384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).