(3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline

C11H13NO — CID 168654923

IUPAC(3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline
SMILESC1=CC2=C3OCC[C@H]3CN[C@H]2C=C1
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)11-8(7-12-10)5-6-13-11/h1-4,8,10,12H,5-7H2/t8-,10-/m0/s1
InChIKeyCSLXFTYTUMKNGH-WPRPVWTQSA-N
MW175.23 g/mol
LogP1.37
Rot. Bonds

About (3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline

(3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline (PubChem CID 168654923) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline
PubChem CID168654923
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline
SMILESC1=CC2=C3OCC[C@H]3CN[C@H]2C=C1
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)11-8(7-12-10)5-6-13-11/h1-4,8,10,12H,5-7H2/t8-,10-/m0/s1
InChIKeyCSLXFTYTUMKNGH-WPRPVWTQSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of (3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline (CID 168654923) is (3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for (3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for (3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline is C1=CC2=C3OCC[C@H]3CN[C@H]2C=C1.
What is the InChIKey of (3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline?
The InChIKey is CSLXFTYTUMKNGH-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-10-9(3-1)11-8(7-12-10)5-6-13-11/h1-4,8,10,12H,5-7H2/t8-,10-/m0/s1.
What are the key properties of (3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline?
(3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline has a molecular weight of 175.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5aS)-2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 168654923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).