2,3-dihydro-1H-isoindole;molecular hydrogen

C8H11N — CID 144672550

IUPAC2,3-dihydro-1H-isoindole;molecular hydrogen
SMILES[H][H].c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.H2/c1-2-4-8-6-9-5-7(8)3-1;/h1-4,9H,5-6H2;1H
InChIKeyHMRREZWZVIDKBU-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.54
Rot. Bonds

About 2,3-dihydro-1H-isoindole;molecular hydrogen

2,3-dihydro-1H-isoindole;molecular hydrogen (PubChem CID 144672550) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole;molecular hydrogen.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole;molecular hydrogen
PubChem CID144672550
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2,3-dihydro-1H-isoindole;molecular hydrogen
SMILES[H][H].c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.H2/c1-2-4-8-6-9-5-7(8)3-1;/h1-4,9H,5-6H2;1H
InChIKeyHMRREZWZVIDKBU-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 159287838
5-phenyl-2,3-dihydro-1H-isoindole
CID 19691969
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CID 67675496
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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole;molecular hydrogen?
The IUPAC name of 2,3-dihydro-1H-isoindole;molecular hydrogen (CID 144672550) is 2,3-dihydro-1H-isoindole;molecular hydrogen.
What is the SMILES notation for 2,3-dihydro-1H-isoindole;molecular hydrogen?
The canonical SMILES for 2,3-dihydro-1H-isoindole;molecular hydrogen is [H][H].c1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindole;molecular hydrogen?
The InChIKey is HMRREZWZVIDKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.H2/c1-2-4-8-6-9-5-7(8)3-1;/h1-4,9H,5-6H2;1H.
What are the key properties of 2,3-dihydro-1H-isoindole;molecular hydrogen?
2,3-dihydro-1H-isoindole;molecular hydrogen has a molecular weight of 121.18 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole;molecular hydrogen is sourced from PubChem (CID 144672550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).