3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline

C12H15NO — CID 66849423

IUPAC3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESC1=CC2=C3OCCCC3CNC2C=C1
InChIInChI=1S/C12H15NO/c1-2-6-11-10(5-1)12-9(8-13-11)4-3-7-14-12/h1-2,5-6,9,11,13H,3-4,7-8H2
InChIKeyUQQTXEWMLMKXEH-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.76
Rot. Bonds

About 3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline

3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 66849423) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID66849423
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESC1=CC2=C3OCCCC3CNC2C=C1
InChIInChI=1S/C12H15NO/c1-2-6-11-10(5-1)12-9(8-13-11)4-3-7-14-12/h1-2,5-6,9,11,13H,3-4,7-8H2
InChIKeyUQQTXEWMLMKXEH-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of 3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline (CID 66849423) is 3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for 3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for 3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline is C1=CC2=C3OCCCC3CNC2C=C1.
What is the InChIKey of 3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is UQQTXEWMLMKXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-6-11-10(5-1)12-9(8-13-11)4-3-7-14-12/h1-2,5-6,9,11,13H,3-4,7-8H2.
What are the key properties of 3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline?
3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 189.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,6a-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 66849423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).