N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide

C11H15FN2O3 — CID 155036890

IUPACN-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide
SMILESC=C(C(=O)NC1CCC(=O)NC1=O)C(C)(C)F
InChIInChI=1S/C11H15FN2O3/c1-6(11(2,3)12)9(16)13-7-4-5-8(15)14-10(7)17/h7H,1,4-5H2,2-3H3,(H,13,16)(H,14,15,17)
InChIKeyPUZDHLCZRDRTGX-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.21
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide

N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide (PubChem CID 155036890) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide
PubChem CID155036890
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide
SMILESC=C(C(=O)NC1CCC(=O)NC1=O)C(C)(C)F
InChIInChI=1S/C11H15FN2O3/c1-6(11(2,3)12)9(16)13-7-4-5-8(15)14-10(7)17/h7H,1,4-5H2,2-3H3,(H,13,16)(H,14,15,17)
InChIKeyPUZDHLCZRDRTGX-UHFFFAOYSA-N
XLogP0.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide (CID 155036890) is N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide is C=C(C(=O)NC1CCC(=O)NC1=O)C(C)(C)F.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide?
The InChIKey is PUZDHLCZRDRTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-6(11(2,3)12)9(16)13-7-4-5-8(15)14-10(7)17/h7H,1,4-5H2,2-3H3,(H,13,16)(H,14,15,17).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide?
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide has a molecular weight of 242.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide is sourced from PubChem (CID 155036890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).