1H-isoindole

C8H7N — CID 597959

IUPAC1H-isoindole
SMILESC1=NCc2ccccc21
InChIInChI=1S/C8H7N/c1-2-4-8-6-9-5-7(8)3-1/h1-5H,6H2
InChIKeyLFHLEABTNIQIQO-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.62
Rot. Bonds

About 1H-isoindole

1H-isoindole (PubChem CID 597959) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 1H-isoindole.

Molecular Properties

Compound Name1H-isoindole
PubChem CID597959
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name1H-isoindole
SMILESC1=NCc2ccccc21
InChIInChI=1S/C8H7N/c1-2-4-8-6-9-5-7(8)3-1/h1-5H,6H2
InChIKeyLFHLEABTNIQIQO-UHFFFAOYSA-N
XLogP1.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Isoindol-3-amine, 1-imino-
CID 18980
3,4-Dihydroisoquinoline
CID 76705
N-Benzylidenebenzylamine
CID 95831
N-benzylidene-2-phenylethanamine
CID 576350
1H-isoindol-3-amine
CID 427859
3-Amino-1H-isoindole hydrochloride
CID 2795203
1,1-Dimethyl-2-oxidoisoindol-2-ium
CID 10487185
Benzylideneoctylamine
CID 525558
Isoquinoline, 3,4-dihydro-, 2-oxide
CID 141110
5H-Dibenz(c,e)azepine
CID 6451520
2-Methyl-3,4-dihydro-isoquinolinium; iodide
CID 418350
6-Fluoro-3,4-dihydroisoquinoline
CID 19748163

Frequently Asked Questions

What is the IUPAC name of 1H-isoindole?
The IUPAC name of 1H-isoindole (CID 597959) is 1H-isoindole.
What is the SMILES notation for 1H-isoindole?
The canonical SMILES for 1H-isoindole is C1=NCc2ccccc21.
What is the InChIKey of 1H-isoindole?
The InChIKey is LFHLEABTNIQIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-8-6-9-5-7(8)3-1/h1-5H,6H2.
What are the key properties of 1H-isoindole?
1H-isoindole has a molecular weight of 117.15 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-isoindole is sourced from PubChem (CID 597959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).