9,10-didehydro-1,2-dihydrobenzo[h]quinoline

C13H9N — CID 129268922

IUPAC9,10-didehydro-1,2-dihydrobenzo[h]quinoline
SMILESc1ccc2ccc3c(c2c#1)NCC=C3
InChIInChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1,3-5,7-8,14H,9H2
InChIKeyJAUFSNXINYZVDK-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.88
Rot. Bonds

About 9,10-didehydro-1,2-dihydrobenzo[h]quinoline

9,10-didehydro-1,2-dihydrobenzo[h]quinoline (PubChem CID 129268922) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol. Its IUPAC name is 9,10-didehydro-1,2-dihydrobenzo[h]quinoline.

Molecular Properties

Compound Name9,10-didehydro-1,2-dihydrobenzo[h]quinoline
PubChem CID129268922
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Name9,10-didehydro-1,2-dihydrobenzo[h]quinoline
SMILESc1ccc2ccc3c(c2c#1)NCC=C3
InChIInChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1,3-5,7-8,14H,9H2
InChIKeyJAUFSNXINYZVDK-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,10-didehydro-1,2-dihydrobenzo[h]quinoline?
The IUPAC name of 9,10-didehydro-1,2-dihydrobenzo[h]quinoline (CID 129268922) is 9,10-didehydro-1,2-dihydrobenzo[h]quinoline.
What is the SMILES notation for 9,10-didehydro-1,2-dihydrobenzo[h]quinoline?
The canonical SMILES for 9,10-didehydro-1,2-dihydrobenzo[h]quinoline is c1ccc2ccc3c(c2c#1)NCC=C3.
What is the InChIKey of 9,10-didehydro-1,2-dihydrobenzo[h]quinoline?
The InChIKey is JAUFSNXINYZVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1,3-5,7-8,14H,9H2.
What are the key properties of 9,10-didehydro-1,2-dihydrobenzo[h]quinoline?
9,10-didehydro-1,2-dihydrobenzo[h]quinoline has a molecular weight of 179.22 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-didehydro-1,2-dihydrobenzo[h]quinoline is sourced from PubChem (CID 129268922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).