3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline

C11H13NO — CID 68684441

IUPAC3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline
SMILESC1=CCC2C(=C1)NCC1C=COC12
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)11-8(7-12-10)5-6-13-11/h1-2,4-6,8-9,11-12H,3,7H2
InChIKeyDBWNGMJWCFRJBY-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.58
Rot. Bonds

About 3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline

3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 68684441) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID68684441
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline
SMILESC1=CCC2C(=C1)NCC1C=COC12
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)11-8(7-12-10)5-6-13-11/h1-2,4-6,8-9,11-12H,3,7H2
InChIKeyDBWNGMJWCFRJBY-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of 3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline (CID 68684441) is 3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for 3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for 3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline is C1=CCC2C(=C1)NCC1C=COC12.
What is the InChIKey of 3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is DBWNGMJWCFRJBY-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/h1-2,4-6,8-9,11-12H,3,7H2.
What are the key properties of 3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline?
3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 175.23 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,9,9a,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 68684441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).