3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one

C12H12N2O — CID 7059841

IUPAC3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one
SMILESC=CC/N=C/C1C(=O)Nc2ccccc21
InChIInChI=1S/C12H12N2O/c1-2-7-13-8-10-9-5-3-4-6-11(9)14-12(10)15/h2-6,8,10H,1,7H2,(H,14,15)/b13-8+
InChIKeyUQDSRQALBOBRGA-MDWZMJQESA-N
MW200.24 g/mol
LogP1.98
Rot. Bonds3

About 3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one

3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one (PubChem CID 7059841) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one
PubChem CID7059841
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one
SMILESC=CC/N=C/C1C(=O)Nc2ccccc21
InChIInChI=1S/C12H12N2O/c1-2-7-13-8-10-9-5-3-4-6-11(9)14-12(10)15/h2-6,8,10H,1,7H2,(H,14,15)/b13-8+
InChIKeyUQDSRQALBOBRGA-MDWZMJQESA-N
XLogP1.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one (CID 7059841) is 3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one is C=CC/N=C/C1C(=O)Nc2ccccc21.
What is the InChIKey of 3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one?
The InChIKey is UQDSRQALBOBRGA-MDWZMJQESA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-7-13-8-10-9-5-3-4-6-11(9)14-12(10)15/h2-6,8,10H,1,7H2,(H,14,15)/b13-8+.
What are the key properties of 3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one?
3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 7059841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).