(7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole

C7H13NO — CID 143715126

IUPAC(7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole
SMILESC1C[C@H]2CNCC2CO1
InChIInChI=1S/C7H13NO/c1-2-9-5-7-4-8-3-6(1)7/h6-8H,1-5H2/t6-,7?/m0/s1
InChIKeyDQEFFFJNBUDCCH-PKPIPKONSA-N
MW127.19 g/mol
LogP0.24
Rot. Bonds

About (7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole

(7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole (PubChem CID 143715126) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole.

Molecular Properties

Compound Name(7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole
PubChem CID143715126
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole
SMILESC1C[C@H]2CNCC2CO1
InChIInChI=1S/C7H13NO/c1-2-9-5-7-4-8-3-6(1)7/h6-8H,1-5H2/t6-,7?/m0/s1
InChIKeyDQEFFFJNBUDCCH-PKPIPKONSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole?
The IUPAC name of (7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole (CID 143715126) is (7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole.
What is the SMILES notation for (7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole?
The canonical SMILES for (7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole is C1C[C@H]2CNCC2CO1.
What is the InChIKey of (7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole?
The InChIKey is DQEFFFJNBUDCCH-PKPIPKONSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-9-5-7-4-8-3-6(1)7/h6-8H,1-5H2/t6-,7?/m0/s1.
What are the key properties of (7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole?
(7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole has a molecular weight of 127.19 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole is sourced from PubChem (CID 143715126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).