2,3-dihydrocinnoline

C8H8N2 — CID 129195589

IUPAC2,3-dihydrocinnoline
SMILESC1=c2ccccc2=NNC1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-5,9H,6H2
InChIKeyJNXHKGNWMODXFW-UHFFFAOYSA-N
MW132.17 g/mol
LogP-0.40
Rot. Bonds

About 2,3-dihydrocinnoline

2,3-dihydrocinnoline (PubChem CID 129195589) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2,3-dihydrocinnoline.

Molecular Properties

Compound Name2,3-dihydrocinnoline
PubChem CID129195589
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2,3-dihydrocinnoline
SMILESC1=c2ccccc2=NNC1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-5,9H,6H2
InChIKeyJNXHKGNWMODXFW-UHFFFAOYSA-N
XLogP-0.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydrocinnoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrocinnoline?
The IUPAC name of 2,3-dihydrocinnoline (CID 129195589) is 2,3-dihydrocinnoline.
What is the SMILES notation for 2,3-dihydrocinnoline?
The canonical SMILES for 2,3-dihydrocinnoline is C1=c2ccccc2=NNC1.
What is the InChIKey of 2,3-dihydrocinnoline?
The InChIKey is JNXHKGNWMODXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-5,9H,6H2.
What are the key properties of 2,3-dihydrocinnoline?
2,3-dihydrocinnoline has a molecular weight of 132.17 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrocinnoline is sourced from PubChem (CID 129195589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).