prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate

C18H30N2O3 — CID 20556295

IUPACprop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate
SMILESC=CCOC(=O)C1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1
InChIInChI=1S/C18H30N2O3/c1-7-8-23-16(22)13-9-15(21)20(12-13)14-10-17(2,3)19(6)18(4,5)11-14/h7,13-14H,1,8-12H2,2-6H3
InChIKeyXQJIUNDTBFOXOZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.22
Rot. Bonds4

About prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate

prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 20556295) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate
PubChem CID20556295
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nameprop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate
SMILESC=CCOC(=O)C1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1
InChIInChI=1S/C18H30N2O3/c1-7-8-23-16(22)13-9-15(21)20(12-13)14-10-17(2,3)19(6)18(4,5)11-14/h7,13-14H,1,8-12H2,2-6H3
InChIKeyXQJIUNDTBFOXOZ-UHFFFAOYSA-N
XLogP2.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate (CID 20556295) is prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate is C=CCOC(=O)C1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1.
What is the InChIKey of prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is XQJIUNDTBFOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-7-8-23-16(22)13-9-15(21)20(12-13)14-10-17(2,3)19(6)18(4,5)11-14/h7,13-14H,1,8-12H2,2-6H3.
What are the key properties of prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate?
prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 20556295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).