4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene

C12H21NO — CID 54399171

IUPAC4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene
SMILESCOC1=NC(C)C2(C)C(C)CC2(C)C1
InChIInChI=1S/C12H21NO/c1-8-6-11(3)7-10(14-5)13-9(2)12(8,11)4/h8-9H,6-7H2,1-5H3
InChIKeyVMELBUCGRDIWGJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.88
Rot. Bonds

About 4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene

4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene (PubChem CID 54399171) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene.

Molecular Properties

Compound Name4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene
PubChem CID54399171
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene
SMILESCOC1=NC(C)C2(C)C(C)CC2(C)C1
InChIInChI=1S/C12H21NO/c1-8-6-11(3)7-10(14-5)13-9(2)12(8,11)4/h8-9H,6-7H2,1-5H3
InChIKeyVMELBUCGRDIWGJ-UHFFFAOYSA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene
CID 90868808
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CID 162401464
CID 162401464
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(2S)-1,1,2-trimethylcyclopropane
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5-methoxy-3,3-dimethyl-2-(1H-pyrrol-2-ylmethyl)-2,4-dihydropyrrole
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O-[(1R,2R)-1,2-dimethylcyclopropyl]hydroxylamine
CID 54107984
1-(1,2-dimethylcyclopropyl)oxy-1,2-dimethylcyclopropane
CID 175071290
4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine
CID 167284032
1-(1-isocyano-2-methylcyclopropyl)-2-methoxybenzene
CID 84770409
(4Z)-8-methoxy-2,3,6,7-tetrahydroazocine
CID 59656170
1,1-dimethoxy-2-methylidenecyclopropane
CID 15683576

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene?
The IUPAC name of 4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene (CID 54399171) is 4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene.
What is the SMILES notation for 4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene?
The canonical SMILES for 4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene is COC1=NC(C)C2(C)C(C)CC2(C)C1.
What is the InChIKey of 4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene?
The InChIKey is VMELBUCGRDIWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8-6-11(3)7-10(14-5)13-9(2)12(8,11)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene?
4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene has a molecular weight of 195.31 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2,6,8-tetramethyl-3-azabicyclo[4.2.0]oct-3-ene is sourced from PubChem (CID 54399171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).