5-ethyl-4a,5,6,7-tetrahydrocinnoline

C10H14N2 — CID 143336379

IUPAC5-ethyl-4a,5,6,7-tetrahydrocinnoline
SMILESCCC1CCC=C2N=NC=CC21
InChIInChI=1S/C10H14N2/c1-2-8-4-3-5-10-9(8)6-7-11-12-10/h5-9H,2-4H2,1H3
InChIKeyZQQLLISLPCCVBQ-UHFFFAOYSA-N
MW162.24 g/mol
LogP3.29
Rot. Bonds1

About 5-ethyl-4a,5,6,7-tetrahydrocinnoline

5-ethyl-4a,5,6,7-tetrahydrocinnoline (PubChem CID 143336379) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-ethyl-4a,5,6,7-tetrahydrocinnoline.

Molecular Properties

Compound Name5-ethyl-4a,5,6,7-tetrahydrocinnoline
PubChem CID143336379
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-ethyl-4a,5,6,7-tetrahydrocinnoline
SMILESCCC1CCC=C2N=NC=CC21
InChIInChI=1S/C10H14N2/c1-2-8-4-3-5-10-9(8)6-7-11-12-10/h5-9H,2-4H2,1H3
InChIKeyZQQLLISLPCCVBQ-UHFFFAOYSA-N
XLogP3.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4a,5,6,7-tetrahydrocinnoline?
The IUPAC name of 5-ethyl-4a,5,6,7-tetrahydrocinnoline (CID 143336379) is 5-ethyl-4a,5,6,7-tetrahydrocinnoline.
What is the SMILES notation for 5-ethyl-4a,5,6,7-tetrahydrocinnoline?
The canonical SMILES for 5-ethyl-4a,5,6,7-tetrahydrocinnoline is CCC1CCC=C2N=NC=CC21.
What is the InChIKey of 5-ethyl-4a,5,6,7-tetrahydrocinnoline?
The InChIKey is ZQQLLISLPCCVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-8-4-3-5-10-9(8)6-7-11-12-10/h5-9H,2-4H2,1H3.
What are the key properties of 5-ethyl-4a,5,6,7-tetrahydrocinnoline?
5-ethyl-4a,5,6,7-tetrahydrocinnoline has a molecular weight of 162.24 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4a,5,6,7-tetrahydrocinnoline is sourced from PubChem (CID 143336379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).