3,4,4a,5,8,8a-hexahydrocinnoline

C8H12N2 — CID 56981779

IUPAC3,4,4a,5,8,8a-hexahydrocinnoline
SMILESC1=CCC2N=NCCC2C1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-2,7-8H,3-6H2
InChIKeyGZDJXWLMMVNDKD-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.18
Rot. Bonds

About 3,4,4a,5,8,8a-hexahydrocinnoline

3,4,4a,5,8,8a-hexahydrocinnoline (PubChem CID 56981779) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3,4,4a,5,8,8a-hexahydrocinnoline.

Molecular Properties

Compound Name3,4,4a,5,8,8a-hexahydrocinnoline
PubChem CID56981779
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3,4,4a,5,8,8a-hexahydrocinnoline
SMILESC1=CCC2N=NCCC2C1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-2,7-8H,3-6H2
InChIKeyGZDJXWLMMVNDKD-UHFFFAOYSA-N
XLogP2.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4,4a,5,8,8a-hexahydrocinnoline 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

3-(Azidomethyl)cyclohexene
CID 118272396
4-(Azidomethyl)cyclohex-1-ene
CID 13512614
3a,4,5,7a-tetrahydro-3H-indazole
CID 13594555
(1Z,6R)-5-azido-6-methylcyclooctene
CID 54535354
3a,4,7,7a-tetrahydro-3H-indazole
CID 57082614
(3S,4R,5R)-4-azido-1,3,5-trimethylcyclohexene
CID 58150819
(3R,4S,5S)-3-azido-5-ethenyl-1,4-dimethylcyclohexene
CID 59076484
(3R,5S)-3-azido-5-ethenyl-1,4-dimethylcyclohexene
CID 59076594
(4R)-4,5-bis(azidomethyl)cyclohexene
CID 59766093
3,4,4a,8a-Tetrahydrocinnoline
CID 68716035
2-[(1S)-cyclohex-3-en-1-yl]ethyldiazene
CID 89167178
3,4,4a,7,8,8a-Hexahydrocinnoline
CID 90874658

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,8,8a-hexahydrocinnoline?
The IUPAC name of 3,4,4a,5,8,8a-hexahydrocinnoline (CID 56981779) is 3,4,4a,5,8,8a-hexahydrocinnoline.
What is the SMILES notation for 3,4,4a,5,8,8a-hexahydrocinnoline?
The canonical SMILES for 3,4,4a,5,8,8a-hexahydrocinnoline is C1=CCC2N=NCCC2C1.
What is the InChIKey of 3,4,4a,5,8,8a-hexahydrocinnoline?
The InChIKey is GZDJXWLMMVNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-2,7-8H,3-6H2.
What are the key properties of 3,4,4a,5,8,8a-hexahydrocinnoline?
3,4,4a,5,8,8a-hexahydrocinnoline has a molecular weight of 136.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,8,8a-hexahydrocinnoline is sourced from PubChem (CID 56981779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).