2H-isoindole;1H-pyrrole

C12H12N2 — CID 162096174

IUPAC2H-isoindole;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc2c[nH]cc2c1
InChIInChI=1S/C8H7N.C4H5N/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-5-3-1/h1-6,9H;1-5H
InChIKeyZEGSMSJHSNKRIZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.18
Rot. Bonds

About 2H-isoindole;1H-pyrrole

2H-isoindole;1H-pyrrole (PubChem CID 162096174) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2H-isoindole;1H-pyrrole.

Molecular Properties

Compound Name2H-isoindole;1H-pyrrole
PubChem CID162096174
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2H-isoindole;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc2c[nH]cc2c1
InChIInChI=1S/C8H7N.C4H5N/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-5-3-1/h1-6,9H;1-5H
InChIKeyZEGSMSJHSNKRIZ-UHFFFAOYSA-N
XLogP3.18
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2H-isoindole;1H-pyrrole?
The IUPAC name of 2H-isoindole;1H-pyrrole (CID 162096174) is 2H-isoindole;1H-pyrrole.
What is the SMILES notation for 2H-isoindole;1H-pyrrole?
The canonical SMILES for 2H-isoindole;1H-pyrrole is c1cc[nH]c1.c1ccc2c[nH]cc2c1.
What is the InChIKey of 2H-isoindole;1H-pyrrole?
The InChIKey is ZEGSMSJHSNKRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C4H5N/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-5-3-1/h1-6,9H;1-5H.
What are the key properties of 2H-isoindole;1H-pyrrole?
2H-isoindole;1H-pyrrole has a molecular weight of 184.24 g/mol, XLogP of 3.18, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-isoindole;1H-pyrrole is sourced from PubChem (CID 162096174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).