3a,7a-dihydro-1H-isoindole

C8H9N — CID 118369128

IUPAC3a,7a-dihydro-1H-isoindole
SMILESC1=CC2C=NCC2C=C1
InChIInChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1-5,7-8H,6H2
InChIKeyWFOSLJHFMXFMPS-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.43
Rot. Bonds

About 3a,7a-dihydro-1H-isoindole

3a,7a-dihydro-1H-isoindole (PubChem CID 118369128) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-isoindole.

Molecular Properties

Compound Name3a,7a-dihydro-1H-isoindole
PubChem CID118369128
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name3a,7a-dihydro-1H-isoindole
SMILESC1=CC2C=NCC2C=C1
InChIInChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1-5,7-8H,6H2
InChIKeyWFOSLJHFMXFMPS-UHFFFAOYSA-N
XLogP1.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3aH-Isoindol
CID 15345461
3a,4-dihydro-1H-isoindole
CID 54009157
7AH-Cyclopenta[C]pyridine
CID 56972347
3a,6,7,7a-tetrahydro-1H-isoindole
CID 57114703
3a,6-dihydro-1H-isoindole
CID 57205268
3a,7a-dihydro-3H-indole
CID 57316999
N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 67966293
3a,4,7,7a-tetrahydro-1H-isoindole
CID 69364730
3-But-2-enylidene-4-methyl-2,4-dihydropyrrole
CID 90915452
3-methyl-3a,7a-dihydro-3H-indole
CID 90944619
4-methyl-7,7a-dihydro-1H-isoindole
CID 90969446
3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
CID 91307094

Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-isoindole?
The IUPAC name of 3a,7a-dihydro-1H-isoindole (CID 118369128) is 3a,7a-dihydro-1H-isoindole.
What is the SMILES notation for 3a,7a-dihydro-1H-isoindole?
The canonical SMILES for 3a,7a-dihydro-1H-isoindole is C1=CC2C=NCC2C=C1.
What is the InChIKey of 3a,7a-dihydro-1H-isoindole?
The InChIKey is WFOSLJHFMXFMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1-5,7-8H,6H2.
What are the key properties of 3a,7a-dihydro-1H-isoindole?
3a,7a-dihydro-1H-isoindole has a molecular weight of 119.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-isoindole is sourced from PubChem (CID 118369128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).