2,3,5,6,7,8-hexahydrocinnoline

C8H12N2 — CID 173072124

IUPAC2,3,5,6,7,8-hexahydrocinnoline
SMILESC1=C2CCCCC2=NNC1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-6-9-10-8/h5,9H,1-4,6H2
InChIKeyHCKFWCBKHIFRHX-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.45
Rot. Bonds

About 2,3,5,6,7,8-hexahydrocinnoline

2,3,5,6,7,8-hexahydrocinnoline (PubChem CID 173072124) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydrocinnoline.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydrocinnoline
PubChem CID173072124
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,3,5,6,7,8-hexahydrocinnoline
SMILESC1=C2CCCCC2=NNC1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-6-9-10-8/h5,9H,1-4,6H2
InChIKeyHCKFWCBKHIFRHX-UHFFFAOYSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,5,6,7,8-hexahydrocinnoline 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 2,3,5,6,7,8-hexahydrocinnoline?
The IUPAC name of 2,3,5,6,7,8-hexahydrocinnoline (CID 173072124) is 2,3,5,6,7,8-hexahydrocinnoline.
What is the SMILES notation for 2,3,5,6,7,8-hexahydrocinnoline?
The canonical SMILES for 2,3,5,6,7,8-hexahydrocinnoline is C1=C2CCCCC2=NNC1.
What is the InChIKey of 2,3,5,6,7,8-hexahydrocinnoline?
The InChIKey is HCKFWCBKHIFRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-6-9-10-8/h5,9H,1-4,6H2.
What are the key properties of 2,3,5,6,7,8-hexahydrocinnoline?
2,3,5,6,7,8-hexahydrocinnoline has a molecular weight of 136.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydrocinnoline is sourced from PubChem (CID 173072124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).