1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole

C16H20N2 — CID 102186148

IUPAC1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole
SMILESc1[nH]c(-c2[nH]cc3c2CCCC3)c2c1CCCC2
InChIInChI=1S/C16H20N2/c1-3-7-13-11(5-1)9-17-15(13)16-14-8-4-2-6-12(14)10-18-16/h9-10,17-18H,1-8H2
InChIKeySKVMAOPRXXSWCL-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.77
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole

1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole (PubChem CID 102186148) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole
PubChem CID102186148
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole
SMILESc1[nH]c(-c2[nH]cc3c2CCCC3)c2c1CCCC2
InChIInChI=1S/C16H20N2/c1-3-7-13-11(5-1)9-17-15(13)16-14-8-4-2-6-12(14)10-18-16/h9-10,17-18H,1-8H2
InChIKeySKVMAOPRXXSWCL-UHFFFAOYSA-N
XLogP3.77
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole?
The IUPAC name of 1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole (CID 102186148) is 1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole is c1[nH]c(-c2[nH]cc3c2CCCC3)c2c1CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole?
The InChIKey is SKVMAOPRXXSWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-7-13-11(5-1)9-17-15(13)16-14-8-4-2-6-12(14)10-18-16/h9-10,17-18H,1-8H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole?
1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole has a molecular weight of 240.35 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4,5,6,7-tetrahydro-2H-isoindole is sourced from PubChem (CID 102186148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).