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

C11H13FN2O3 — CID 134581707

IUPAC(3R)-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?/m1/s1
InChIKeyWIQHJYKQDHSXMX-GVHYBUMESA-N
MW240.23 g/mol
LogP-0.03
Rot. Bonds2

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

(3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide (PubChem CID 134581707) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is (3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide
PubChem CID134581707
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name(3R)-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?/m1/s1
InChIKeyWIQHJYKQDHSXMX-GVHYBUMESA-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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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide
CID 155036890
3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione
CID 167011321
(E,4R)-N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2,3-dimethylpent-2-enamide
CID 169647556
(3S)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide
CID 170376335
3-[3-[(E)-1-fluorobut-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 170978789
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide
CID 153385188
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide
CID 165136848
(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide
CID 166077343
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-2-enylidene)hexa-3,5-dienamide
CID 166077919
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-fluorobut-2-enamide
CID 177039491
(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide
CID 135278360
N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylbut-2-enamide
CID 135296365

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide?
The IUPAC name of (3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide (CID 134581707) is (3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide.
What is the SMILES notation for (3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide?
The canonical SMILES for (3R)-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 (3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide?
The InChIKey is WIQHJYKQDHSXMX-GVHYBUMESA-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?/m1/s1.
What are the key properties of (3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide?
(3R)-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 (3R)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-methylcyclobutene-1-carboxamide is sourced from PubChem (CID 134581707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).