3,4,6,8a-tetrahydrocinnoline

C8H10N2 — CID 91805392

IUPAC3,4,6,8a-tetrahydrocinnoline
SMILESC1=CC2N=NCCC2=CC1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h2-4,8H,1,5-6H2
InChIKeyNAXQDASVVYLEEY-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.10
Rot. Bonds

About 3,4,6,8a-tetrahydrocinnoline

3,4,6,8a-tetrahydrocinnoline (PubChem CID 91805392) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3,4,6,8a-tetrahydrocinnoline.

Molecular Properties

Compound Name3,4,6,8a-tetrahydrocinnoline
PubChem CID91805392
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3,4,6,8a-tetrahydrocinnoline
SMILESC1=CC2N=NCCC2=CC1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h2-4,8H,1,5-6H2
InChIKeyNAXQDASVVYLEEY-UHFFFAOYSA-N
XLogP2.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohexen-1-yl-azide
CID 11007889
6-Azido-1-ethenylcyclohexene
CID 101490378
Di(cyclohex-2-en-1-yl)diazene
CID 60113966
3,4,4a,8a-Tetrahydrocinnoline
CID 68716035
3,5,6,7,8,8a-Hexahydrocinnoline
CID 91116920
3,7,8,8a-Tetrahydrocinnoline
CID 91168124
3,5,8,8a-Tetrahydrocinnoline
CID 91222273
3,4,4a,5,6,8a-Hexahydrocinnoline
CID 91560605
3,4,6,7,8,8a-Hexahydrocinnoline
CID 91804155
5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine
CID 163574547
Bis(2-methylcyclohexa-2,5-dien-1-yl)diazene
CID 173451525
2,3-Diazabicyclo[2.2.2]octa-2,5-diene
CID 85794609

Frequently Asked Questions

What is the IUPAC name of 3,4,6,8a-tetrahydrocinnoline?
The IUPAC name of 3,4,6,8a-tetrahydrocinnoline (CID 91805392) is 3,4,6,8a-tetrahydrocinnoline.
What is the SMILES notation for 3,4,6,8a-tetrahydrocinnoline?
The canonical SMILES for 3,4,6,8a-tetrahydrocinnoline is C1=CC2N=NCCC2=CC1.
What is the InChIKey of 3,4,6,8a-tetrahydrocinnoline?
The InChIKey is NAXQDASVVYLEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h2-4,8H,1,5-6H2.
What are the key properties of 3,4,6,8a-tetrahydrocinnoline?
3,4,6,8a-tetrahydrocinnoline has a molecular weight of 134.18 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,8a-tetrahydrocinnoline is sourced from PubChem (CID 91805392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).