6,7-dihydrocinnoline

C8H8N2 — CID 123722580

IUPAC6,7-dihydrocinnoline
SMILESC1=c2ccnnc2=CCC1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h3-6H,1-2H2
InChIKeyHOMCXYUFOYWIOI-UHFFFAOYSA-N
MW132.17 g/mol
LogP-0.17
Rot. Bonds

About 6,7-dihydrocinnoline

6,7-dihydrocinnoline (PubChem CID 123722580) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 6,7-dihydrocinnoline.

Molecular Properties

Compound Name6,7-dihydrocinnoline
PubChem CID123722580
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name6,7-dihydrocinnoline
SMILESC1=c2ccnnc2=CCC1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h3-6H,1-2H2
InChIKeyHOMCXYUFOYWIOI-UHFFFAOYSA-N
XLogP-0.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydrocinnoline?
The IUPAC name of 6,7-dihydrocinnoline (CID 123722580) is 6,7-dihydrocinnoline.
What is the SMILES notation for 6,7-dihydrocinnoline?
The canonical SMILES for 6,7-dihydrocinnoline is C1=c2ccnnc2=CCC1.
What is the InChIKey of 6,7-dihydrocinnoline?
The InChIKey is HOMCXYUFOYWIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h3-6H,1-2H2.
What are the key properties of 6,7-dihydrocinnoline?
6,7-dihydrocinnoline has a molecular weight of 132.17 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydrocinnoline is sourced from PubChem (CID 123722580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).