3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine

C9H11N — CID 105427752

IUPAC3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
SMILESCc1ccc2c(c1)CC2N
InChIInChI=1S/C9H11N/c1-6-2-3-8-7(4-6)5-9(8)10/h2-4,9H,5,10H2,1H3
InChIKeyAQLGCGOTHWIJBZ-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.55
Rot. Bonds

About 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine

3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine (PubChem CID 105427752) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine.

Molecular Properties

Compound Name3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
PubChem CID105427752
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
SMILESCc1ccc2c(c1)CC2N
InChIInChI=1S/C9H11N/c1-6-2-3-8-7(4-6)5-9(8)10/h2-4,9H,5,10H2,1H3
InChIKeyAQLGCGOTHWIJBZ-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The IUPAC name of 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine (CID 105427752) is 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine.
What is the SMILES notation for 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The canonical SMILES for 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine is Cc1ccc2c(c1)CC2N.
What is the InChIKey of 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The InChIKey is AQLGCGOTHWIJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-6-2-3-8-7(4-6)5-9(8)10/h2-4,9H,5,10H2,1H3.
What are the key properties of 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine has a molecular weight of 133.19 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine is sourced from PubChem (CID 105427752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).