3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene

C10H13N — CID 143125379

IUPAC3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene
SMILESCC1=CC2=CN(C)C2C(C)=C1
InChIInChI=1S/C10H13N/c1-7-4-8(2)10-9(5-7)6-11(10)3/h4-6,10H,1-3H3
InChIKeyALQWDPQRQRCEPF-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.09
Rot. Bonds

About 3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene

3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene (PubChem CID 143125379) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene.

Molecular Properties

Compound Name3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene
PubChem CID143125379
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene
SMILESCC1=CC2=CN(C)C2C(C)=C1
InChIInChI=1S/C10H13N/c1-7-4-8(2)10-9(5-7)6-11(10)3/h4-6,10H,1-3H3
InChIKeyALQWDPQRQRCEPF-UHFFFAOYSA-N
XLogP2.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene?
The IUPAC name of 3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene (CID 143125379) is 3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene.
What is the SMILES notation for 3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene?
The canonical SMILES for 3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene is CC1=CC2=CN(C)C2C(C)=C1.
What is the InChIKey of 3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene?
The InChIKey is ALQWDPQRQRCEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-4-8(2)10-9(5-7)6-11(10)3/h4-6,10H,1-3H3.
What are the key properties of 3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene?
3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene has a molecular weight of 147.22 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4-triene is sourced from PubChem (CID 143125379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).