1,2,3,8a-tetrahydrocinnoline

C8H10N2 — CID 90710581

IUPAC1,2,3,8a-tetrahydrocinnoline
SMILESC1=CC2=CCNNC2C=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-5,8-10H,6H2
InChIKeyZMRGLEVDCBUZMS-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.52
Rot. Bonds

About 1,2,3,8a-tetrahydrocinnoline

1,2,3,8a-tetrahydrocinnoline (PubChem CID 90710581) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,2,3,8a-tetrahydrocinnoline.

Molecular Properties

Compound Name1,2,3,8a-tetrahydrocinnoline
PubChem CID90710581
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,2,3,8a-tetrahydrocinnoline
SMILESC1=CC2=CCNNC2C=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-5,8-10H,6H2
InChIKeyZMRGLEVDCBUZMS-UHFFFAOYSA-N
XLogP0.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,8a-tetrahydrocinnoline?
The IUPAC name of 1,2,3,8a-tetrahydrocinnoline (CID 90710581) is 1,2,3,8a-tetrahydrocinnoline.
What is the SMILES notation for 1,2,3,8a-tetrahydrocinnoline?
The canonical SMILES for 1,2,3,8a-tetrahydrocinnoline is C1=CC2=CCNNC2C=C1.
What is the InChIKey of 1,2,3,8a-tetrahydrocinnoline?
The InChIKey is ZMRGLEVDCBUZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-5,8-10H,6H2.
What are the key properties of 1,2,3,8a-tetrahydrocinnoline?
1,2,3,8a-tetrahydrocinnoline has a molecular weight of 134.18 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,8a-tetrahydrocinnoline is sourced from PubChem (CID 90710581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).