9,9a-dihydro-4H-pyrano[3,2-g]quinoline

C12H11NO — CID 88691504

IUPAC9,9a-dihydro-4H-pyrano[3,2-g]quinoline
SMILESC1=CNC2C=C3OC=CCC3=CC2=C1
InChIInChI=1S/C12H11NO/c1-3-9-7-10-4-2-6-14-12(10)8-11(9)13-5-1/h1-3,5-8,11,13H,4H2
InChIKeyURSQLHZIFDFWQY-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.16
Rot. Bonds

About 9,9a-dihydro-4H-pyrano[3,2-g]quinoline

9,9a-dihydro-4H-pyrano[3,2-g]quinoline (PubChem CID 88691504) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 9,9a-dihydro-4H-pyrano[3,2-g]quinoline.

Molecular Properties

Compound Name9,9a-dihydro-4H-pyrano[3,2-g]quinoline
PubChem CID88691504
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name9,9a-dihydro-4H-pyrano[3,2-g]quinoline
SMILESC1=CNC2C=C3OC=CCC3=CC2=C1
InChIInChI=1S/C12H11NO/c1-3-9-7-10-4-2-6-14-12(10)8-11(9)13-5-1/h1-3,5-8,11,13H,4H2
InChIKeyURSQLHZIFDFWQY-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9a-dihydro-4H-pyrano[3,2-g]quinoline?
The IUPAC name of 9,9a-dihydro-4H-pyrano[3,2-g]quinoline (CID 88691504) is 9,9a-dihydro-4H-pyrano[3,2-g]quinoline.
What is the SMILES notation for 9,9a-dihydro-4H-pyrano[3,2-g]quinoline?
The canonical SMILES for 9,9a-dihydro-4H-pyrano[3,2-g]quinoline is C1=CNC2C=C3OC=CCC3=CC2=C1.
What is the InChIKey of 9,9a-dihydro-4H-pyrano[3,2-g]quinoline?
The InChIKey is URSQLHZIFDFWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-3-9-7-10-4-2-6-14-12(10)8-11(9)13-5-1/h1-3,5-8,11,13H,4H2.
What are the key properties of 9,9a-dihydro-4H-pyrano[3,2-g]quinoline?
9,9a-dihydro-4H-pyrano[3,2-g]quinoline has a molecular weight of 185.23 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9a-dihydro-4H-pyrano[3,2-g]quinoline is sourced from PubChem (CID 88691504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).