(3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide

C11H13FN2O3 — CID 170376335

IUPAC(3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide
SMILESCC1=C(C(=O)NC2CCC(=O)NC2=O)C[C@@H]1F
InChIInChI=1S/C11H13FN2O3/c1-5-6(4-7(5)12)10(16)13-8-2-3-9(15)14-11(8)17/h7-8H,2-4H2,1H3,(H,13,16)(H,14,15,17)/t7-,8?/m0/s1
InChIKeyWIQHJYKQDHSXMX-JAMMHHFISA-N
MW240.23 g/mol
LogP-0.03
Rot. Bonds2

About (3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide

(3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide (PubChem CID 170376335) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is (3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide
PubChem CID170376335
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name(3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide
SMILESCC1=C(C(=O)NC2CCC(=O)NC2=O)C[C@@H]1F
InChIInChI=1S/C11H13FN2O3/c1-5-6(4-7(5)12)10(16)13-8-2-3-9(15)14-11(8)17/h7-8H,2-4H2,1H3,(H,13,16)(H,14,15,17)/t7-,8?/m0/s1
InChIKeyWIQHJYKQDHSXMX-JAMMHHFISA-N
XLogP-0.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide?
The IUPAC name of (3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide (CID 170376335) is (3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide.
What is the SMILES notation for (3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide?
The canonical SMILES for (3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide is CC1=C(C(=O)NC2CCC(=O)NC2=O)C[C@@H]1F.
What is the InChIKey of (3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide?
The InChIKey is WIQHJYKQDHSXMX-JAMMHHFISA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-5-6(4-7(5)12)10(16)13-8-2-3-9(15)14-11(8)17/h7-8H,2-4H2,1H3,(H,13,16)(H,14,15,17)/t7-,8?/m0/s1.
What are the key properties of (3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide?
(3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide has a molecular weight of 240.23 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide is sourced from PubChem (CID 170376335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).