azane;2,3-dihydro-1H-isoindole

C8H12N2 — CID 23342931

IUPACazane;2,3-dihydro-1H-isoindole
SMILESN.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.H3N/c1-2-4-8-6-9-5-7(8)3-1;/h1-4,9H,5-6H2;1H3
InChIKeyKDMGPKRIHXXFFW-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.45
Rot. Bonds

About azane;2,3-dihydro-1H-isoindole

azane;2,3-dihydro-1H-isoindole (PubChem CID 23342931) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is azane;2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Nameazane;2,3-dihydro-1H-isoindole
PubChem CID23342931
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Nameazane;2,3-dihydro-1H-isoindole
SMILESN.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.H3N/c1-2-4-8-6-9-5-7(8)3-1;/h1-4,9H,5-6H2;1H3
InChIKeyKDMGPKRIHXXFFW-UHFFFAOYSA-N
XLogP1.45
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;2,3-dihydro-1H-isoindole?
The IUPAC name of azane;2,3-dihydro-1H-isoindole (CID 23342931) is azane;2,3-dihydro-1H-isoindole.
What is the SMILES notation for azane;2,3-dihydro-1H-isoindole?
The canonical SMILES for azane;2,3-dihydro-1H-isoindole is N.c1ccc2c(c1)CNC2.
What is the InChIKey of azane;2,3-dihydro-1H-isoindole?
The InChIKey is KDMGPKRIHXXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.H3N/c1-2-4-8-6-9-5-7(8)3-1;/h1-4,9H,5-6H2;1H3.
What are the key properties of azane;2,3-dihydro-1H-isoindole?
azane;2,3-dihydro-1H-isoindole has a molecular weight of 136.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-dihydro-1H-isoindole is sourced from PubChem (CID 23342931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).