N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide

C16H14N2O4 — CID 139187245

IUPACN-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)C(=C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H14N2O4/c1-9(2)13(19)17(14(20)10(3)4)18-15(21)11-7-5-6-8-12(11)16(18)22/h5-8H,1,3H2,2,4H3
InChIKeyVCNIUGUCEHWDOL-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.71
Rot. Bonds3

About N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide

N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide (PubChem CID 139187245) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
PubChem CID139187245
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C(=O)C(=C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H14N2O4/c1-9(2)13(19)17(14(20)10(3)4)18-15(21)11-7-5-6-8-12(11)16(18)22/h5-8H,1,3H2,2,4H3
InChIKeyVCNIUGUCEHWDOL-UHFFFAOYSA-N
XLogP1.71
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11793055
(1,3-dioxoisoindol-2-yl)-methylcarbamic acid
CID 70639006
biphenylene;2-methylprop-2-enoic acid
CID 174864090
N-(2-bromophenyl)-N-(1,3-dioxoisoindol-2-yl)acetamide
CID 135027805
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide
CID 12815728
N-(1,3-dioxoisoindol-2-yl)-N-methyl-2-methylsulfinylbenzamide
CID 168908039
S-ethyl N-(2-amino-2-oxoethyl)-N-(1,3-dioxoisoindol-2-yl)carbamothioate
CID 155637516
[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 170058298
biphenylene;propan-2-one
CID 174440223
N-[1-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenylmethyl)piperidin-4-yl]-N,2-dimethylprop-2-enamide
CID 19761201
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
[3-(1,3-dioxoisoindol-2-yl)phenyl] 2-methylprop-2-enoate
CID 3839214

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide (CID 139187245) is N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide is C=C(C)C(=O)N(C(=O)C(=C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The InChIKey is VCNIUGUCEHWDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9(2)13(19)17(14(20)10(3)4)18-15(21)11-7-5-6-8-12(11)16(18)22/h5-8H,1,3H2,2,4H3.
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide has a molecular weight of 298.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide is sourced from PubChem (CID 139187245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).