(3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

C15H15NO2 — CID 6544291

IUPAC(3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESc1coc([C@H]2Nc3ccccc3[C@H]3OCC[C@@H]23)c1
InChIInChI=1S/C15H15NO2/c1-2-5-12-10(4-1)15-11(7-9-18-15)14(16-12)13-6-3-8-17-13/h1-6,8,11,14-16H,7,9H2/t11-,14-,15+/m0/s1
InChIKeyZQRYWYRQXPVNFH-TUKIKUTGSA-N
MW241.29 g/mol
LogP3.52
Rot. Bonds1

About (3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

(3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 6544291) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID6544291
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESc1coc([C@H]2Nc3ccccc3[C@H]3OCC[C@@H]23)c1
InChIInChI=1S/C15H15NO2/c1-2-5-12-10(4-1)15-11(7-9-18-15)14(16-12)13-6-3-8-17-13/h1-6,8,11,14-16H,7,9H2/t11-,14-,15+/m0/s1
InChIKeyZQRYWYRQXPVNFH-TUKIKUTGSA-N
XLogP3.52
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of (3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 6544291) is (3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for (3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for (3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is c1coc([C@H]2Nc3ccccc3[C@H]3OCC[C@@H]23)c1.
What is the InChIKey of (3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is ZQRYWYRQXPVNFH-TUKIKUTGSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-5-12-10(4-1)15-11(7-9-18-15)14(16-12)13-6-3-8-17-13/h1-6,8,11,14-16H,7,9H2/t11-,14-,15+/m0/s1.
What are the key properties of (3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
(3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 241.29 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,9bS)-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 6544291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).