4,4a-dihydrocinnoline

C8H8N2 — CID 130338578

IUPAC4,4a-dihydrocinnoline
SMILESC1=CC2=NN=CCC2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-4,6-7H,5H2
InChIKeyPEBVUJHQTVTCBB-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.56
Rot. Bonds

About 4,4a-dihydrocinnoline

4,4a-dihydrocinnoline (PubChem CID 130338578) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 4,4a-dihydrocinnoline.

Molecular Properties

Compound Name4,4a-dihydrocinnoline
PubChem CID130338578
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name4,4a-dihydrocinnoline
SMILESC1=CC2=NN=CCC2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-4,6-7H,5H2
InChIKeyPEBVUJHQTVTCBB-UHFFFAOYSA-N
XLogP1.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4a-dihydrocinnoline?
The IUPAC name of 4,4a-dihydrocinnoline (CID 130338578) is 4,4a-dihydrocinnoline.
What is the SMILES notation for 4,4a-dihydrocinnoline?
The canonical SMILES for 4,4a-dihydrocinnoline is C1=CC2=NN=CCC2C=C1.
What is the InChIKey of 4,4a-dihydrocinnoline?
The InChIKey is PEBVUJHQTVTCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-4,6-7H,5H2.
What are the key properties of 4,4a-dihydrocinnoline?
4,4a-dihydrocinnoline has a molecular weight of 132.17 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dihydrocinnoline is sourced from PubChem (CID 130338578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).