pyrano[3,4-c]pyrrole

C7H5NO — CID 57261935

IUPACpyrano[3,4-c]pyrrole
SMILESc1cc2cncc-2co1
InChIInChI=1S/C7H5NO/c1-2-9-5-7-4-8-3-6(1)7/h1-5H
InChIKeyQTXIDPDBUZXQLF-UHFFFAOYSA-N
MW119.12 g/mol
LogP1.78
Rot. Bonds

About pyrano[3,4-c]pyrrole

pyrano[3,4-c]pyrrole (PubChem CID 57261935) has the molecular formula C7H5NO and a molecular weight of 119.12 g/mol. Its IUPAC name is pyrano[3,4-c]pyrrole.

Molecular Properties

Compound Namepyrano[3,4-c]pyrrole
PubChem CID57261935
Molecular FormulaC7H5NO
Molecular Weight119.12 g/mol
Exact Mass119.04
IUPAC Namepyrano[3,4-c]pyrrole
SMILESc1cc2cncc-2co1
InChIInChI=1S/C7H5NO/c1-2-9-5-7-4-8-3-6(1)7/h1-5H
InChIKeyQTXIDPDBUZXQLF-UHFFFAOYSA-N
XLogP1.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrano[3,4-c]pyrrole?
The IUPAC name of pyrano[3,4-c]pyrrole (CID 57261935) is pyrano[3,4-c]pyrrole.
What is the SMILES notation for pyrano[3,4-c]pyrrole?
The canonical SMILES for pyrano[3,4-c]pyrrole is c1cc2cncc-2co1.
What is the InChIKey of pyrano[3,4-c]pyrrole?
The InChIKey is QTXIDPDBUZXQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO/c1-2-9-5-7-4-8-3-6(1)7/h1-5H.
What are the key properties of pyrano[3,4-c]pyrrole?
pyrano[3,4-c]pyrrole has a molecular weight of 119.12 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[3,4-c]pyrrole is sourced from PubChem (CID 57261935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).