1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole

C7H13NO — CID 68902591

IUPAC1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole
SMILESC1CC2CCOCC2N1
InChIInChI=1S/C7H13NO/c1-3-8-7-5-9-4-2-6(1)7/h6-8H,1-5H2
InChIKeyRGAVPGPIIGQZCC-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.38
Rot. Bonds

About 1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole

1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole (PubChem CID 68902591) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole.

Molecular Properties

Compound Name1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole
PubChem CID68902591
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole
SMILESC1CC2CCOCC2N1
InChIInChI=1S/C7H13NO/c1-3-8-7-5-9-4-2-6(1)7/h6-8H,1-5H2
InChIKeyRGAVPGPIIGQZCC-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole?
The IUPAC name of 1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole (CID 68902591) is 1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole.
What is the SMILES notation for 1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole?
The canonical SMILES for 1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole is C1CC2CCOCC2N1.
What is the InChIKey of 1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole?
The InChIKey is RGAVPGPIIGQZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-8-7-5-9-4-2-6(1)7/h6-8H,1-5H2.
What are the key properties of 1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole?
1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole has a molecular weight of 127.19 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole is sourced from PubChem (CID 68902591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).