7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene

C9H9N — CID 123640529

IUPAC7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC=C1Cc2cnccc21
InChIInChI=1S/C9H9N/c1-2-7-5-8-6-10-4-3-9(7)8/h2-4,6H,5H2,1H3
InChIKeyMOBQZTFHYFOKJC-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.04
Rot. Bonds

About 7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene

7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 123640529) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID123640529
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC=C1Cc2cnccc21
InChIInChI=1S/C9H9N/c1-2-7-5-8-6-10-4-3-9(7)8/h2-4,6H,5H2,1H3
InChIKeyMOBQZTFHYFOKJC-UHFFFAOYSA-N
XLogP2.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
CID 123863751
9H-indeno[2,1-c]pyridine
CID 597466
4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 141121486
5,6-dimethyl-7,8-dihydroisoquinoline
CID 89031942
5-methyl-9H-cyclohepta[c]pyridine
CID 145127682
5-ethenyl-6-methyl-7,8-dihydroisoquinoline
CID 146521730
5,6-dihydrobenzo[f]isoquinoline
CID 14566470
5-ethyl-7H-cyclopenta[c]pyridine
CID 89233357
11H-[1]benzoxepino[4,3-c]pyridin-5-one
CID 18675738
(3E)-3-ethylidene-4-methylidenepyridine
CID 143722515
10,11-dihydroindeno[1,2-g]isoquinolin-5-one
CID 158133911
ethane;7-methyl-5H-cyclopenta[c]pyridine
CID 143933732

Frequently Asked Questions

What is the IUPAC name of 7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene (CID 123640529) is 7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene is CC=C1Cc2cnccc21.
What is the InChIKey of 7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is MOBQZTFHYFOKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-7-5-8-6-10-4-3-9(7)8/h2-4,6H,5H2,1H3.
What are the key properties of 7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 131.18 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 123640529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).