7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene

C9H15N — CID 59434756

IUPAC7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene
SMILESCC1C2=C(CNCC2)C1C
InChIInChI=1S/C9H15N/c1-6-7(2)9-5-10-4-3-8(6)9/h6-7,10H,3-5H2,1-2H3
InChIKeyHZQWLOFWEUPNLW-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.56
Rot. Bonds

About 7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene

7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene (PubChem CID 59434756) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene.

Molecular Properties

Compound Name7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene
PubChem CID59434756
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene
SMILESCC1C2=C(CNCC2)C1C
InChIInChI=1S/C9H15N/c1-6-7(2)9-5-10-4-3-8(6)9/h6-7,10H,3-5H2,1-2H3
InChIKeyHZQWLOFWEUPNLW-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene?
The IUPAC name of 7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene (CID 59434756) is 7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene.
What is the SMILES notation for 7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene?
The canonical SMILES for 7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene is CC1C2=C(CNCC2)C1C.
What is the InChIKey of 7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene?
The InChIKey is HZQWLOFWEUPNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-6-7(2)9-5-10-4-3-8(6)9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene?
7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene has a molecular weight of 137.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3-azabicyclo[4.2.0]oct-1(6)-ene is sourced from PubChem (CID 59434756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).