2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide

C14H13BrN2O3 — CID 61355158

IUPAC2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)C(=O)c2cc(Br)cc(C)c21
InChIInChI=1S/C14H13BrN2O3/c1-3-4-16-11(18)7-17-12-8(2)5-9(15)6-10(12)13(19)14(17)20/h3,5-6H,1,4,7H2,2H3,(H,16,18)
InChIKeyOAKIALZWJRGTNB-UHFFFAOYSA-N
MW337.17 g/mol
LogP1.59
Rot. Bonds4

About 2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide

2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide (PubChem CID 61355158) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
PubChem CID61355158
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)C(=O)c2cc(Br)cc(C)c21
InChIInChI=1S/C14H13BrN2O3/c1-3-4-16-11(18)7-17-12-8(2)5-9(15)6-10(12)13(19)14(17)20/h3,5-6H,1,4,7H2,2H3,(H,16,18)
InChIKeyOAKIALZWJRGTNB-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide (CID 61355158) is 2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CN1C(=O)C(=O)c2cc(Br)cc(C)c21.
What is the InChIKey of 2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
The InChIKey is OAKIALZWJRGTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-3-4-16-11(18)7-17-12-8(2)5-9(15)6-10(12)13(19)14(17)20/h3,5-6H,1,4,7H2,2H3,(H,16,18).
What are the key properties of 2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide has a molecular weight of 337.17 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 61355158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).