4a,7,8,8a-tetrahydrocinnoline

C8H10N2 — CID 156767727

IUPAC4a,7,8,8a-tetrahydrocinnoline
SMILESC1=CC2C=CN=NC2CC1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1,3,5-8H,2,4H2
InChIKeyMAOMACAQTVAOJZ-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.30
Rot. Bonds

About 4a,7,8,8a-tetrahydrocinnoline

4a,7,8,8a-tetrahydrocinnoline (PubChem CID 156767727) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4a,7,8,8a-tetrahydrocinnoline.

Molecular Properties

Compound Name4a,7,8,8a-tetrahydrocinnoline
PubChem CID156767727
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4a,7,8,8a-tetrahydrocinnoline
SMILESC1=CC2C=CN=NC2CC1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1,3,5-8H,2,4H2
InChIKeyMAOMACAQTVAOJZ-UHFFFAOYSA-N
XLogP2.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4a,7,8,8a-tetrahydrocinnoline?
The IUPAC name of 4a,7,8,8a-tetrahydrocinnoline (CID 156767727) is 4a,7,8,8a-tetrahydrocinnoline.
What is the SMILES notation for 4a,7,8,8a-tetrahydrocinnoline?
The canonical SMILES for 4a,7,8,8a-tetrahydrocinnoline is C1=CC2C=CN=NC2CC1.
What is the InChIKey of 4a,7,8,8a-tetrahydrocinnoline?
The InChIKey is MAOMACAQTVAOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1,3,5-8H,2,4H2.
What are the key properties of 4a,7,8,8a-tetrahydrocinnoline?
4a,7,8,8a-tetrahydrocinnoline has a molecular weight of 134.18 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,7,8,8a-tetrahydrocinnoline is sourced from PubChem (CID 156767727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).