1,2,8,8a-tetrahydrocinnoline

C8H10N2 — CID 173071728

IUPAC1,2,8,8a-tetrahydrocinnoline
SMILESC1=CCC2NNC=CC2=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-3,5-6,8-10H,4H2
InChIKeyPZHJUIZTTHIEJE-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.86
Rot. Bonds

About 1,2,8,8a-tetrahydrocinnoline

1,2,8,8a-tetrahydrocinnoline (PubChem CID 173071728) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,2,8,8a-tetrahydrocinnoline.

Molecular Properties

Compound Name1,2,8,8a-tetrahydrocinnoline
PubChem CID173071728
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,2,8,8a-tetrahydrocinnoline
SMILESC1=CCC2NNC=CC2=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-3,5-6,8-10H,4H2
InChIKeyPZHJUIZTTHIEJE-UHFFFAOYSA-N
XLogP0.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,8,8a-tetrahydrocinnoline with MolForge

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

Launch Full Analysis

Related Compounds

2,3,3a,4-tetrahydro-1H-benzimidazole-2-thiol
CID 87279684
1-methyl-7,7a-dihydroindole
CID 149248869
5,6,9,9a-tetrahydro-1H-carbazole
CID 88903924
3-phenyl-7,7a-dihydro-1H-indazole
CID 163675799
1,3,3a,4-tetrahydro-2,1,3-benzoxadiazole
CID 74066925
8,8a-dihydronaphthalen-1-ol
CID 148551403
1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine
CID 174190362
7,7a-dihydro-1-benzothiophene 1,1-dioxide
CID 22321627
8,8a-dihydronaphthalene-2-thiol
CID 163854702
2-(7,7a-dihydro-1H-indol-2-yl)-2-methylpropanoic acid
CID 70890581
3-(3-chloro-10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 155388478
1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone
CID 121005219

Frequently Asked Questions

What is the IUPAC name of 1,2,8,8a-tetrahydrocinnoline?
The IUPAC name of 1,2,8,8a-tetrahydrocinnoline (CID 173071728) is 1,2,8,8a-tetrahydrocinnoline.
What is the SMILES notation for 1,2,8,8a-tetrahydrocinnoline?
The canonical SMILES for 1,2,8,8a-tetrahydrocinnoline is C1=CCC2NNC=CC2=C1.
What is the InChIKey of 1,2,8,8a-tetrahydrocinnoline?
The InChIKey is PZHJUIZTTHIEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-3,5-6,8-10H,4H2.
What are the key properties of 1,2,8,8a-tetrahydrocinnoline?
1,2,8,8a-tetrahydrocinnoline has a molecular weight of 134.18 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8,8a-tetrahydrocinnoline is sourced from PubChem (CID 173071728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).