2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide

C15H16N2O3 — CID 61357112

IUPAC2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)C(=O)c2c(C)ccc(C)c21
InChIInChI=1S/C15H16N2O3/c1-4-7-16-11(18)8-17-13-10(3)6-5-9(2)12(13)14(19)15(17)20/h4-6H,1,7-8H2,2-3H3,(H,16,18)
InChIKeyYRUHUNSSXUYGRJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.13
Rot. Bonds4

About 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide

2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide (PubChem CID 61357112) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
PubChem CID61357112
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)C(=O)c2c(C)ccc(C)c21
InChIInChI=1S/C15H16N2O3/c1-4-7-16-11(18)8-17-13-10(3)6-5-9(2)12(13)14(19)15(17)20/h4-6H,1,7-8H2,2-3H3,(H,16,18)
InChIKeyYRUHUNSSXUYGRJ-UHFFFAOYSA-N
XLogP1.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.13
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'}

Analyze 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide
CID 61485569
2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 61355309
2-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
CID 61355158
1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione
CID 104751336
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
CID 61355921
3-(4,7-dimethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpropanoic acid
CID 79630344
1-[2-(dimethylamino)ethyl]-4,7-dimethylindole-2,3-dione
CID 61354837
N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide
CID 62628305
N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61487044
2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide
CID 83206441
4,7-dimethyl-1-(oxiran-2-ylmethyl)indole-2,3-dione
CID 61356944
N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61146555

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide (CID 61357112) is 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CN1C(=O)C(=O)c2c(C)ccc(C)c21.
What is the InChIKey of 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
The InChIKey is YRUHUNSSXUYGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-4-7-16-11(18)8-17-13-10(3)6-5-9(2)12(13)14(19)15(17)20/h4-6H,1,7-8H2,2-3H3,(H,16,18).
What are the key properties of 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide has a molecular weight of 272.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 61357112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).