4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene

C9H16N2 — CID 168801142

IUPAC4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene
SMILESCC1=C2CN(C)CCN2C1C
InChIInChI=1S/C9H16N2/c1-7-8(2)11-5-4-10(3)6-9(7)11/h8H,4-6H2,1-3H3
InChIKeyVLZMONFMBXAFSI-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.91
Rot. Bonds

About 4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene

4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene (PubChem CID 168801142) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene.

Molecular Properties

Compound Name4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene
PubChem CID168801142
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene
SMILESCC1=C2CN(C)CCN2C1C
InChIInChI=1S/C9H16N2/c1-7-8(2)11-5-4-10(3)6-9(7)11/h8H,4-6H2,1-3H3
InChIKeyVLZMONFMBXAFSI-UHFFFAOYSA-N
XLogP0.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene?
The IUPAC name of 4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene (CID 168801142) is 4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene.
What is the SMILES notation for 4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene?
The canonical SMILES for 4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene is CC1=C2CN(C)CCN2C1C.
What is the InChIKey of 4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene?
The InChIKey is VLZMONFMBXAFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-8(2)11-5-4-10(3)6-9(7)11/h8H,4-6H2,1-3H3.
What are the key properties of 4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene?
4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene has a molecular weight of 152.24 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene is sourced from PubChem (CID 168801142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).