(3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole

C11H13NO — CID 70205862

IUPAC(3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole
SMILESc1ccc2c(c1)OC[C@@H]1CNC[C@@H]21
InChIInChI=1S/C11H13NO/c1-2-4-11-9(3-1)10-6-12-5-8(10)7-13-11/h1-4,8,10,12H,5-7H2/t8-,10+/m0/s1
InChIKeyFJCAHIFUCPXKCU-WCBMZHEXSA-N
MW175.23 g/mol
LogP1.38
Rot. Bonds

About (3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole

(3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole (PubChem CID 70205862) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole
PubChem CID70205862
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole
SMILESc1ccc2c(c1)OC[C@@H]1CNC[C@@H]21
InChIInChI=1S/C11H13NO/c1-2-4-11-9(3-1)10-6-12-5-8(10)7-13-11/h1-4,8,10,12H,5-7H2/t8-,10+/m0/s1
InChIKeyFJCAHIFUCPXKCU-WCBMZHEXSA-N
XLogP1.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole?
The IUPAC name of (3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole (CID 70205862) is (3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole.
What is the SMILES notation for (3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole?
The canonical SMILES for (3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole is c1ccc2c(c1)OC[C@@H]1CNC[C@@H]21.
What is the InChIKey of (3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole?
The InChIKey is FJCAHIFUCPXKCU-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-11-9(3-1)10-6-12-5-8(10)7-13-11/h1-4,8,10,12H,5-7H2/t8-,10+/m0/s1.
What are the key properties of (3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole?
(3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole has a molecular weight of 175.23 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bR)-1,2,3,3a,4,9b-hexahydrochromeno[3,4-c]pyrrole is sourced from PubChem (CID 70205862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).