1-hept-6-enyl-2,3-dihydro-1H-isoindole

C15H21N — CID 107010280

IUPAC1-hept-6-enyl-2,3-dihydro-1H-isoindole
SMILESC=CCCCCCC1NCc2ccccc21
InChIInChI=1S/C15H21N/c1-2-3-4-5-6-11-15-14-10-8-7-9-13(14)12-16-15/h2,7-10,15-16H,1,3-6,11-12H2
InChIKeyVJVZQICRXBSUNE-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.97
Rot. Bonds6

About 1-hept-6-enyl-2,3-dihydro-1H-isoindole

1-hept-6-enyl-2,3-dihydro-1H-isoindole (PubChem CID 107010280) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-hept-6-enyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-hept-6-enyl-2,3-dihydro-1H-isoindole
PubChem CID107010280
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-hept-6-enyl-2,3-dihydro-1H-isoindole
SMILESC=CCCCCCC1NCc2ccccc21
InChIInChI=1S/C15H21N/c1-2-3-4-5-6-11-15-14-10-8-7-9-13(14)12-16-15/h2,7-10,15-16H,1,3-6,11-12H2
InChIKeyVJVZQICRXBSUNE-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-hept-6-enyl-2,3-dihydro-1H-isoindole (CID 107010280) is 1-hept-6-enyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-hept-6-enyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-hept-6-enyl-2,3-dihydro-1H-isoindole is C=CCCCCCC1NCc2ccccc21.
What is the InChIKey of 1-hept-6-enyl-2,3-dihydro-1H-isoindole?
The InChIKey is VJVZQICRXBSUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-3-4-5-6-11-15-14-10-8-7-9-13(14)12-16-15/h2,7-10,15-16H,1,3-6,11-12H2.
What are the key properties of 1-hept-6-enyl-2,3-dihydro-1H-isoindole?
1-hept-6-enyl-2,3-dihydro-1H-isoindole has a molecular weight of 215.34 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 107010280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).