4-ethyl-2,3-dihydrocinnoline

C10H12N2 — CID 130374416

IUPAC4-ethyl-2,3-dihydrocinnoline
SMILESCCC1=c2ccccc2=NNC1
InChIInChI=1S/C10H12N2/c1-2-8-7-11-12-10-6-4-3-5-9(8)10/h3-6,11H,2,7H2,1H3
InChIKeyBHGFAZSLXZQMJF-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.39
Rot. Bonds1

About 4-ethyl-2,3-dihydrocinnoline

4-ethyl-2,3-dihydrocinnoline (PubChem CID 130374416) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydrocinnoline.

Molecular Properties

Compound Name4-ethyl-2,3-dihydrocinnoline
PubChem CID130374416
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4-ethyl-2,3-dihydrocinnoline
SMILESCCC1=c2ccccc2=NNC1
InChIInChI=1S/C10H12N2/c1-2-8-7-11-12-10-6-4-3-5-9(8)10/h3-6,11H,2,7H2,1H3
InChIKeyBHGFAZSLXZQMJF-UHFFFAOYSA-N
XLogP0.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydrocinnoline?
The IUPAC name of 4-ethyl-2,3-dihydrocinnoline (CID 130374416) is 4-ethyl-2,3-dihydrocinnoline.
What is the SMILES notation for 4-ethyl-2,3-dihydrocinnoline?
The canonical SMILES for 4-ethyl-2,3-dihydrocinnoline is CCC1=c2ccccc2=NNC1.
What is the InChIKey of 4-ethyl-2,3-dihydrocinnoline?
The InChIKey is BHGFAZSLXZQMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-8-7-11-12-10-6-4-3-5-9(8)10/h3-6,11H,2,7H2,1H3.
What are the key properties of 4-ethyl-2,3-dihydrocinnoline?
4-ethyl-2,3-dihydrocinnoline has a molecular weight of 160.22 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydrocinnoline is sourced from PubChem (CID 130374416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).