1,8a-dihydrocinnoline

C8H8N2 — CID 147330054

IUPAC1,8a-dihydrocinnoline
SMILESC1=CC2=CC=NNC2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6,8,10H
InChIKeyDBMIEHQQNSKSRW-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.00
Rot. Bonds

About 1,8a-dihydrocinnoline

1,8a-dihydrocinnoline (PubChem CID 147330054) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,8a-dihydrocinnoline.

Molecular Properties

Compound Name1,8a-dihydrocinnoline
PubChem CID147330054
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1,8a-dihydrocinnoline
SMILESC1=CC2=CC=NNC2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6,8,10H
InChIKeyDBMIEHQQNSKSRW-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,8a-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 1,8a-dihydrocinnoline?
The IUPAC name of 1,8a-dihydrocinnoline (CID 147330054) is 1,8a-dihydrocinnoline.
What is the SMILES notation for 1,8a-dihydrocinnoline?
The canonical SMILES for 1,8a-dihydrocinnoline is C1=CC2=CC=NNC2C=C1.
What is the InChIKey of 1,8a-dihydrocinnoline?
The InChIKey is DBMIEHQQNSKSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6,8,10H.
What are the key properties of 1,8a-dihydrocinnoline?
1,8a-dihydrocinnoline has a molecular weight of 132.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a-dihydrocinnoline is sourced from PubChem (CID 147330054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).