5-amino-2-prop-1-enylisoindole-1,3-dione

C11H10N2O2 — CID 54131075

IUPAC5-amino-2-prop-1-enylisoindole-1,3-dione
SMILESCC=CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C11H10N2O2/c1-2-5-13-10(14)8-4-3-7(12)6-9(8)11(13)15/h2-6H,12H2,1H3
InChIKeyNUKVWBRSEGVYPZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.40
Rot. Bonds1

About 5-amino-2-prop-1-enylisoindole-1,3-dione

5-amino-2-prop-1-enylisoindole-1,3-dione (PubChem CID 54131075) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-amino-2-prop-1-enylisoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-prop-1-enylisoindole-1,3-dione
PubChem CID54131075
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-amino-2-prop-1-enylisoindole-1,3-dione
SMILESCC=CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C11H10N2O2/c1-2-5-13-10(14)8-4-3-7(12)6-9(8)11(13)15/h2-6H,12H2,1H3
InChIKeyNUKVWBRSEGVYPZ-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-prop-1-enylisoindole-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-prop-1-enylisoindole-1,3-dione?
The IUPAC name of 5-amino-2-prop-1-enylisoindole-1,3-dione (CID 54131075) is 5-amino-2-prop-1-enylisoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-prop-1-enylisoindole-1,3-dione?
The canonical SMILES for 5-amino-2-prop-1-enylisoindole-1,3-dione is CC=CN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-prop-1-enylisoindole-1,3-dione?
The InChIKey is NUKVWBRSEGVYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-2-5-13-10(14)8-4-3-7(12)6-9(8)11(13)15/h2-6H,12H2,1H3.
What are the key properties of 5-amino-2-prop-1-enylisoindole-1,3-dione?
5-amino-2-prop-1-enylisoindole-1,3-dione has a molecular weight of 202.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-prop-1-enylisoindole-1,3-dione is sourced from PubChem (CID 54131075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).