4,4a,5,6,7,8-hexahydrocinnoline

C8H12N2 — CID 19978308

IUPAC4,4a,5,6,7,8-hexahydrocinnoline
SMILESC1=NN=C2CCCCC2C1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-6-9-10-8/h6-7H,1-5H2
InChIKeyQVAILOAQPJFVQQ-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.01
Rot. Bonds

About 4,4a,5,6,7,8-hexahydrocinnoline

4,4a,5,6,7,8-hexahydrocinnoline (PubChem CID 19978308) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4,4a,5,6,7,8-hexahydrocinnoline.

Molecular Properties

Compound Name4,4a,5,6,7,8-hexahydrocinnoline
PubChem CID19978308
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4,4a,5,6,7,8-hexahydrocinnoline
SMILESC1=NN=C2CCCCC2C1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-6-9-10-8/h6-7H,1-5H2
InChIKeyQVAILOAQPJFVQQ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4a,5,6,7,8-hexahydrocinnoline?
The IUPAC name of 4,4a,5,6,7,8-hexahydrocinnoline (CID 19978308) is 4,4a,5,6,7,8-hexahydrocinnoline.
What is the SMILES notation for 4,4a,5,6,7,8-hexahydrocinnoline?
The canonical SMILES for 4,4a,5,6,7,8-hexahydrocinnoline is C1=NN=C2CCCCC2C1.
What is the InChIKey of 4,4a,5,6,7,8-hexahydrocinnoline?
The InChIKey is QVAILOAQPJFVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-6-9-10-8/h6-7H,1-5H2.
What are the key properties of 4,4a,5,6,7,8-hexahydrocinnoline?
4,4a,5,6,7,8-hexahydrocinnoline has a molecular weight of 136.20 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,5,6,7,8-hexahydrocinnoline is sourced from PubChem (CID 19978308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).