1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide

C14H22N2O3 — CID 11311649

IUPAC1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1C(=O)N(C(C)(C)C)C(=O)C1(C)C
InChIInChI=1S/C14H22N2O3/c1-7-8-15-10(17)9-11(18)16(13(2,3)4)12(19)14(9,5)6/h7,9H,1,8H2,2-6H3,(H,15,17)
InChIKeyPPBNKMOYCJAVIU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.10
Rot. Bonds3

About 1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide

1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 11311649) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID11311649
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1C(=O)N(C(C)(C)C)C(=O)C1(C)C
InChIInChI=1S/C14H22N2O3/c1-7-8-15-10(17)9-11(18)16(13(2,3)4)12(19)14(9,5)6/h7,9H,1,8H2,2-6H3,(H,15,17)
InChIKeyPPBNKMOYCJAVIU-UHFFFAOYSA-N
XLogP1.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide (CID 11311649) is 1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)C1C(=O)N(C(C)(C)C)C(=O)C1(C)C.
What is the InChIKey of 1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is PPBNKMOYCJAVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-7-8-15-10(17)9-11(18)16(13(2,3)4)12(19)14(9,5)6/h7,9H,1,8H2,2-6H3,(H,15,17).
What are the key properties of 1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide?
1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-dimethyl-2,5-dioxo-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 11311649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).