1-ethenyl-2,3-dihydro-1H-isoindole

C10H11N — CID 89142586

IUPAC1-ethenyl-2,3-dihydro-1H-isoindole
SMILESC=CC1NCc2ccccc21
InChIInChI=1S/C10H11N/c1-2-10-9-6-4-3-5-8(9)7-11-10/h2-6,10-11H,1,7H2
InChIKeyVYBZQXILSCUNMC-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.02
Rot. Bonds1

About 1-ethenyl-2,3-dihydro-1H-isoindole

1-ethenyl-2,3-dihydro-1H-isoindole (PubChem CID 89142586) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-ethenyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-ethenyl-2,3-dihydro-1H-isoindole
PubChem CID89142586
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1-ethenyl-2,3-dihydro-1H-isoindole
SMILESC=CC1NCc2ccccc21
InChIInChI=1S/C10H11N/c1-2-10-9-6-4-3-5-8(9)7-11-10/h2-6,10-11H,1,7H2
InChIKeyVYBZQXILSCUNMC-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-ethenyl-2,3-dihydro-1H-isoindole (CID 89142586) is 1-ethenyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-ethenyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-ethenyl-2,3-dihydro-1H-isoindole is C=CC1NCc2ccccc21.
What is the InChIKey of 1-ethenyl-2,3-dihydro-1H-isoindole?
The InChIKey is VYBZQXILSCUNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-10-9-6-4-3-5-8(9)7-11-10/h2-6,10-11H,1,7H2.
What are the key properties of 1-ethenyl-2,3-dihydro-1H-isoindole?
1-ethenyl-2,3-dihydro-1H-isoindole has a molecular weight of 145.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 89142586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).