8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline

C10H9FN2 — CID 126757737

IUPAC8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline
SMILESC=CC1=CC=C(F)C2C=CN=NC12
InChIInChI=1S/C10H9FN2/c1-2-7-3-4-9(11)8-5-6-12-13-10(7)8/h2-6,8,10H,1H2
InChIKeyYKJSYAKWPYQWOK-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.93
Rot. Bonds1

About 8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline

8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline (PubChem CID 126757737) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline.

Molecular Properties

Compound Name8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline
PubChem CID126757737
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline
SMILESC=CC1=CC=C(F)C2C=CN=NC12
InChIInChI=1S/C10H9FN2/c1-2-7-3-4-9(11)8-5-6-12-13-10(7)8/h2-6,8,10H,1H2
InChIKeyYKJSYAKWPYQWOK-UHFFFAOYSA-N
XLogP2.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline?
The IUPAC name of 8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline (CID 126757737) is 8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline.
What is the SMILES notation for 8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline?
The canonical SMILES for 8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline is C=CC1=CC=C(F)C2C=CN=NC12.
What is the InChIKey of 8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline?
The InChIKey is YKJSYAKWPYQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-2-7-3-4-9(11)8-5-6-12-13-10(7)8/h2-6,8,10H,1H2.
What are the key properties of 8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline?
8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline has a molecular weight of 176.19 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-5-fluoro-4a,8a-dihydrocinnoline is sourced from PubChem (CID 126757737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).