1,2,3,6-tetrahydropyrano[4,3-b]pyrrole

C7H9NO — CID 133083387

IUPAC1,2,3,6-tetrahydropyrano[4,3-b]pyrrole
SMILESC1=C2CCNC2=CCO1
InChIInChI=1S/C7H9NO/c1-3-8-7-2-4-9-5-6(1)7/h2,5,8H,1,3-4H2
InChIKeyFSGJKUXBPDBHPE-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.78
Rot. Bonds

About 1,2,3,6-tetrahydropyrano[4,3-b]pyrrole

1,2,3,6-tetrahydropyrano[4,3-b]pyrrole (PubChem CID 133083387) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyrano[4,3-b]pyrrole.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyrano[4,3-b]pyrrole
PubChem CID133083387
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1,2,3,6-tetrahydropyrano[4,3-b]pyrrole
SMILESC1=C2CCNC2=CCO1
InChIInChI=1S/C7H9NO/c1-3-8-7-2-4-9-5-6(1)7/h2,5,8H,1,3-4H2
InChIKeyFSGJKUXBPDBHPE-UHFFFAOYSA-N
XLogP0.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyrano[4,3-b]pyrrole?
The IUPAC name of 1,2,3,6-tetrahydropyrano[4,3-b]pyrrole (CID 133083387) is 1,2,3,6-tetrahydropyrano[4,3-b]pyrrole.
What is the SMILES notation for 1,2,3,6-tetrahydropyrano[4,3-b]pyrrole?
The canonical SMILES for 1,2,3,6-tetrahydropyrano[4,3-b]pyrrole is C1=C2CCNC2=CCO1.
What is the InChIKey of 1,2,3,6-tetrahydropyrano[4,3-b]pyrrole?
The InChIKey is FSGJKUXBPDBHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-8-7-2-4-9-5-6(1)7/h2,5,8H,1,3-4H2.
What are the key properties of 1,2,3,6-tetrahydropyrano[4,3-b]pyrrole?
1,2,3,6-tetrahydropyrano[4,3-b]pyrrole has a molecular weight of 123.15 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 1,2,3,6-tetrahydropyrano[4,3-b]pyrrole is sourced from PubChem (CID 133083387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).