[(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite

C10H13FN2O4 — CID 154957631

IUPAC[(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite
SMILESC=C(C)C(=O)N(COF)C1CCC(=O)NC1=O
InChIInChI=1S/C10H13FN2O4/c1-6(2)10(16)13(5-17-11)7-3-4-8(14)12-9(7)15/h7H,1,3-5H2,2H3,(H,12,14,15)
InChIKeyXTQCDCQEJCIPQO-UHFFFAOYSA-N
MW244.22 g/mol
LogP0.05
Rot. Bonds4

About [(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite

[(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite (PubChem CID 154957631) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is [(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite.

Molecular Properties

Compound Name[(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite
PubChem CID154957631
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name[(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite
SMILESC=C(C)C(=O)N(COF)C1CCC(=O)NC1=O
InChIInChI=1S/C10H13FN2O4/c1-6(2)10(16)13(5-17-11)7-3-4-8(14)12-9(7)15/h7H,1,3-5H2,2H3,(H,12,14,15)
InChIKeyXTQCDCQEJCIPQO-UHFFFAOYSA-N
XLogP0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[[(2Z)-2-(fluoromethylidene)butyl]amino]piperidine-2,6-dione
CID 147501193
3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 153392074
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide
CID 155036890
3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione
CID 166865158
3-[(3-Fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione
CID 167275823
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-N-formyl-3-methyl-2-methylidenehepta-3,5-dienamide
CID 169834730
(2S)-2-(2-methylprop-2-enoylamino)pentanediamide
CID 54561503
3-(2-Methylprop-2-enylamino)piperidine-2,6-dione
CID 65967534
3-(3,4-dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)piperidine-2,6-dione
CID 65968700
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-methylbut-2-enamide
CID 70848466
2-(2-Methylprop-2-enoylamino)pentanediamide
CID 76103757
2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide
CID 89007070

Frequently Asked Questions

What is the IUPAC name of [(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite?
The IUPAC name of [(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite (CID 154957631) is [(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite.
What is the SMILES notation for [(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite?
The canonical SMILES for [(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite is C=C(C)C(=O)N(COF)C1CCC(=O)NC1=O.
What is the InChIKey of [(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite?
The InChIKey is XTQCDCQEJCIPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-6(2)10(16)13(5-17-11)7-3-4-8(14)12-9(7)15/h7H,1,3-5H2,2H3,(H,12,14,15).
What are the key properties of [(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite?
[(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite has a molecular weight of 244.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite is sourced from PubChem (CID 154957631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).