5-prop-2-enylpiperidine-2,4-dione

C8H11NO2 — CID 90034636

IUPAC5-prop-2-enylpiperidine-2,4-dione
SMILESC=CCC1CNC(=O)CC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-6-5-9-8(11)4-7(6)10/h2,6H,1,3-5H2,(H,9,11)
InChIKeyMSRIPVVQGDIJSF-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.27
Rot. Bonds2

About 5-prop-2-enylpiperidine-2,4-dione

5-prop-2-enylpiperidine-2,4-dione (PubChem CID 90034636) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-prop-2-enylpiperidine-2,4-dione.

Molecular Properties

Compound Name5-prop-2-enylpiperidine-2,4-dione
PubChem CID90034636
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-prop-2-enylpiperidine-2,4-dione
SMILESC=CCC1CNC(=O)CC1=O
InChIInChI=1S/C8H11NO2/c1-2-3-6-5-9-8(11)4-7(6)10/h2,6H,1,3-5H2,(H,9,11)
InChIKeyMSRIPVVQGDIJSF-UHFFFAOYSA-N
XLogP0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylpiperidine-2,4-dione?
The IUPAC name of 5-prop-2-enylpiperidine-2,4-dione (CID 90034636) is 5-prop-2-enylpiperidine-2,4-dione.
What is the SMILES notation for 5-prop-2-enylpiperidine-2,4-dione?
The canonical SMILES for 5-prop-2-enylpiperidine-2,4-dione is C=CCC1CNC(=O)CC1=O.
What is the InChIKey of 5-prop-2-enylpiperidine-2,4-dione?
The InChIKey is MSRIPVVQGDIJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-6-5-9-8(11)4-7(6)10/h2,6H,1,3-5H2,(H,9,11).
What are the key properties of 5-prop-2-enylpiperidine-2,4-dione?
5-prop-2-enylpiperidine-2,4-dione has a molecular weight of 153.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylpiperidine-2,4-dione is sourced from PubChem (CID 90034636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).