2-ethenylisoindole-1,3-dione;prop-2-en-1-amine

C13H14N2O2 — CID 21271999

IUPAC2-ethenylisoindole-1,3-dione;prop-2-en-1-amine
SMILESC=CCN.C=CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H7NO2.C3H7N/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;1-2-3-4/h2-6H,1H2;2H,1,3-4H2
InChIKeyYLRPNXMETRTMEI-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.56
Rot. Bonds2

About 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine

2-ethenylisoindole-1,3-dione;prop-2-en-1-amine (PubChem CID 21271999) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine.

Molecular Properties

Compound Name2-ethenylisoindole-1,3-dione;prop-2-en-1-amine
PubChem CID21271999
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-ethenylisoindole-1,3-dione;prop-2-en-1-amine
SMILESC=CCN.C=CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H7NO2.C3H7N/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;1-2-3-4/h2-6H,1H2;2H,1,3-4H2
InChIKeyYLRPNXMETRTMEI-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine 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 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine?
The IUPAC name of 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine (CID 21271999) is 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine.
What is the SMILES notation for 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine?
The canonical SMILES for 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine is C=CCN.C=CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine?
The InChIKey is YLRPNXMETRTMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C3H7N/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;1-2-3-4/h2-6H,1H2;2H,1,3-4H2.
What are the key properties of 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine?
2-ethenylisoindole-1,3-dione;prop-2-en-1-amine has a molecular weight of 230.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylisoindole-1,3-dione;prop-2-en-1-amine is sourced from PubChem (CID 21271999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).