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

C9H9N — CID 123863751

IUPAC8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC=C1Cc2ccncc21
InChIInChI=1S/C9H9N/c1-2-7-5-8-3-4-10-6-9(7)8/h2-4,6H,5H2,1H3
InChIKeyPOHLKNKRBVKOCI-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.04
Rot. Bonds

About 8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene

8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 123863751) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID123863751
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC=C1Cc2ccncc21
InChIInChI=1S/C9H9N/c1-2-7-5-8-3-4-10-6-9(7)8/h2-4,6H,5H2,1H3
InChIKeyPOHLKNKRBVKOCI-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

7-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
CID 123640529
ethane;7-methyl-5H-cyclopenta[c]pyridine
CID 143933732
2-ethylidene-3H-inden-1-one
CID 58198195
9H-indeno[2,1-c]pyridine
CID 597466
6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 59252733
3-methyl-4H-pyrano[2,3-c]pyridine
CID 123693196
13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 154087157
(3E)-3-ethylidene-4-methylidenepyridine
CID 143722515
N-(5,6-dihydrocyclopenta[c]pyridin-7-ylidene)hydroxylamine
CID 73297438
5,6-dihydrobenzo[c][2,6]naphthyridine
CID 123355188
4-ethyl-1,2-dihydro-2,6-naphthyridine
CID 139479498
1,2-di(ethylidene)cyclopropane
CID 123857340

Frequently Asked Questions

What is the IUPAC name of 8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene (CID 123863751) is 8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene is CC=C1Cc2ccncc21.
What is the InChIKey of 8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is POHLKNKRBVKOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-7-5-8-3-4-10-6-9(7)8/h2-4,6H,5H2,1H3.
What are the key properties of 8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
8-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 8-ethylidene-3-azabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 123863751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).