(3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline

C13H17NO — CID 122395240

IUPAC(3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline
SMILESCCN1C[C@H]2CCO[C@H]2c2ccccc21
InChIInChI=1S/C13H17NO/c1-2-14-9-10-7-8-15-13(10)11-5-3-4-6-12(11)14/h3-6,10,13H,2,7-9H2,1H3/t10-,13-/m1/s1
InChIKeyIMQFKSDNAMXIQW-ZWNOBZJWSA-N
MW203.29 g/mol
LogP2.60
Rot. Bonds1

About (3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline

(3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline (PubChem CID 122395240) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline.

Molecular Properties

Compound Name(3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline
PubChem CID122395240
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline
SMILESCCN1C[C@H]2CCO[C@H]2c2ccccc21
InChIInChI=1S/C13H17NO/c1-2-14-9-10-7-8-15-13(10)11-5-3-4-6-12(11)14/h3-6,10,13H,2,7-9H2,1H3/t10-,13-/m1/s1
InChIKeyIMQFKSDNAMXIQW-ZWNOBZJWSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline?
The IUPAC name of (3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline (CID 122395240) is (3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline.
What is the SMILES notation for (3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline?
The canonical SMILES for (3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline is CCN1C[C@H]2CCO[C@H]2c2ccccc21.
What is the InChIKey of (3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline?
The InChIKey is IMQFKSDNAMXIQW-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-14-9-10-7-8-15-13(10)11-5-3-4-6-12(11)14/h3-6,10,13H,2,7-9H2,1H3/t10-,13-/m1/s1.
What are the key properties of (3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline?
(3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline has a molecular weight of 203.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bR)-5-ethyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline is sourced from PubChem (CID 122395240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).