isoindol-3a-amine

C8H8N2 — CID 140969596

IUPACisoindol-3a-amine
SMILESNC12C=CC=CC1=CN=C2
InChIInChI=1S/C8H8N2/c9-8-4-2-1-3-7(8)5-10-6-8/h1-6H,9H2
InChIKeyRLFYGDUIHRKPOB-UHFFFAOYSA-N
MW132.17 g/mol
LogP0.78
Rot. Bonds

About isoindol-3a-amine

isoindol-3a-amine (PubChem CID 140969596) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is isoindol-3a-amine.

Molecular Properties

Compound Nameisoindol-3a-amine
PubChem CID140969596
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Nameisoindol-3a-amine
SMILESNC12C=CC=CC1=CN=C2
InChIInChI=1S/C8H8N2/c9-8-4-2-1-3-7(8)5-10-6-8/h1-6H,9H2
InChIKeyRLFYGDUIHRKPOB-UHFFFAOYSA-N
XLogP0.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of isoindol-3a-amine?
The IUPAC name of isoindol-3a-amine (CID 140969596) is isoindol-3a-amine.
What is the SMILES notation for isoindol-3a-amine?
The canonical SMILES for isoindol-3a-amine is NC12C=CC=CC1=CN=C2.
What is the InChIKey of isoindol-3a-amine?
The InChIKey is RLFYGDUIHRKPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c9-8-4-2-1-3-7(8)5-10-6-8/h1-6H,9H2.
What are the key properties of isoindol-3a-amine?
isoindol-3a-amine has a molecular weight of 132.17 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoindol-3a-amine is sourced from PubChem (CID 140969596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).