7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene

C11H15N — CID 163627326

IUPAC7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCCC1c2ccncc2C1CC
InChIInChI=1S/C11H15N/c1-3-8-9(4-2)11-7-12-6-5-10(8)11/h5-9H,3-4H2,1-2H3
InChIKeyHTCWIGUWAKCLGS-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.08
Rot. Bonds2

About 7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene

7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 163627326) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID163627326
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCCC1c2ccncc2C1CC
InChIInChI=1S/C11H15N/c1-3-8-9(4-2)11-7-12-6-5-10(8)11/h5-9H,3-4H2,1-2H3
InChIKeyHTCWIGUWAKCLGS-UHFFFAOYSA-N
XLogP3.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59145627
2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 143716592
3-(4-ethylcyclohexyl)pyridin-4-amine
CID 64776322
1-ethyl-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 83970812
4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane
CID 144567672
2-ethyl-2,3-dihydrofuro[2,3-c]pyridine
CID 148742170
5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine
CID 143716647
1-methyl-1,3-dihydrofuro[3,4-c]pyridin-3-ol
CID 150712720
3-butan-2-yl-1-methyl-2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine
CID 90851028
carbanide;5-ethyl-7,7-di(ethyl)-5,6-dihydrocyclopenta[c]pyridine;yttrium(3+)
CID 59590991
(6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl)methanamine
CID 112714200
(6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)methanamine
CID 112714201

Frequently Asked Questions

What is the IUPAC name of 7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene (CID 163627326) is 7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene is CCC1c2ccncc2C1CC.
What is the InChIKey of 7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is HTCWIGUWAKCLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-8-9(4-2)11-7-12-6-5-10(8)11/h5-9H,3-4H2,1-2H3.
What are the key properties of 7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene?
7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 161.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diethyl-3-azabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 163627326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).