3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene

C8H11N — CID 144834776

IUPAC3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene
SMILESCC1=C(C)C2CC=C2N1
InChIInChI=1S/C8H11N/c1-5-6(2)9-8-4-3-7(5)8/h4,7,9H,3H2,1-2H3
InChIKeyPRDXGJZKGCZPGM-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.79
Rot. Bonds

About 3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene

3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene (PubChem CID 144834776) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene.

Molecular Properties

Compound Name3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene
PubChem CID144834776
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene
SMILESCC1=C(C)C2CC=C2N1
InChIInChI=1S/C8H11N/c1-5-6(2)9-8-4-3-7(5)8/h4,7,9H,3H2,1-2H3
InChIKeyPRDXGJZKGCZPGM-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene?
The IUPAC name of 3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene (CID 144834776) is 3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene.
What is the SMILES notation for 3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene?
The canonical SMILES for 3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene is CC1=C(C)C2CC=C2N1.
What is the InChIKey of 3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene?
The InChIKey is PRDXGJZKGCZPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-5-6(2)9-8-4-3-7(5)8/h4,7,9H,3H2,1-2H3.
What are the key properties of 3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene?
3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene has a molecular weight of 121.18 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-azabicyclo[3.2.0]hepta-1(7),3-diene is sourced from PubChem (CID 144834776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).