8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide

C12H14N2O — CID 123509038

IUPAC8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide
SMILESCCC1=c2cc(C(=O)N(C)C)ccc2=N1
InChIInChI=1S/C12H14N2O/c1-4-10-9-7-8(12(15)14(2)3)5-6-11(9)13-10/h5-7H,4H2,1-3H3
InChIKeySIKZEGBQYWNPOR-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.54
Rot. Bonds2

About 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide

8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide (PubChem CID 123509038) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide.

Molecular Properties

Compound Name8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide
PubChem CID123509038
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide
SMILESCCC1=c2cc(C(=O)N(C)C)ccc2=N1
InChIInChI=1S/C12H14N2O/c1-4-10-9-7-8(12(15)14(2)3)5-6-11(9)13-10/h5-7H,4H2,1-3H3
InChIKeySIKZEGBQYWNPOR-UHFFFAOYSA-N
XLogP0.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide with MolForge

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Related Compounds

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N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide
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4-hydroxy-N,N,3-trimethylbenzamide
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1-ethyl-N,N-dimethyl-2,3-dihydroindole-6-carboxamide
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2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide?
The IUPAC name of 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide (CID 123509038) is 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide.
What is the SMILES notation for 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide?
The canonical SMILES for 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide is CCC1=c2cc(C(=O)N(C)C)ccc2=N1.
What is the InChIKey of 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide?
The InChIKey is SIKZEGBQYWNPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-4-10-9-7-8(12(15)14(2)3)5-6-11(9)13-10/h5-7H,4H2,1-3H3.
What are the key properties of 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide?
8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide has a molecular weight of 202.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N,N-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-3-carboxamide is sourced from PubChem (CID 123509038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).