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

C11H13NO — CID 68682777

IUPAC2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline
SMILESC1=CC2=C3OCCC3CNC2C=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
InChIKeyCSLXFTYTUMKNGH-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.37
Rot. Bonds

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

2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline (PubChem CID 68682777) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline
PubChem CID68682777
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline
SMILESC1=CC2=C3OCCC3CNC2C=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
InChIKeyCSLXFTYTUMKNGH-UHFFFAOYSA-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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Related Compounds

cis-Hexahydrofurano[3,2-c]quinoline
CID 168654923
1,3,3a,4,5,5a-Hexahydrofuro[3,4-c]quinolin-9-ol
CID 68281305
1,3,3a,4,5,5a-Hexahydrofuro[3,4-c]quinoline
CID 89407409
2,3,3a,4,5,5a-Hexahydrofuro[3,2-c]quinolin-8-amine;hydrochloride
CID 145615249
2,3,3a,4,5,5a-Hexahydrofuro[3,2-c]quinoline;hydrochloride
CID 145615266
2,3,3a,4,5,5a-Hexahydrofuro[3,2-c]quinolin-8-amine
CID 145615250

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of 2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline (CID 68682777) is 2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for 2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for 2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline is C1=CC2=C3OCCC3CNC2C=C1.
What is the InChIKey of 2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline?
The InChIKey is CSLXFTYTUMKNGH-UHFFFAOYSA-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.
What are the key properties of 2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline?
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 2,3,3a,4,5,5a-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 68682777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).