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

C9H11N — CID 125469550

IUPAC(7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine
SMILESC[C@@H]1Cc2c(N)cccc21
InChIInChI=1S/C9H11N/c1-6-5-8-7(6)3-2-4-9(8)10/h2-4,6H,5,10H2,1H3/t6-/m1/s1
InChIKeyRJBWLJBIDFATGN-ZCFIWIBFSA-N
MW133.19 g/mol
LogP1.93
Rot. Bonds

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

(7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine (PubChem CID 125469550) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine.

Molecular Properties

Compound Name(7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine
PubChem CID125469550
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine
SMILESC[C@@H]1Cc2c(N)cccc21
InChIInChI=1S/C9H11N/c1-6-5-8-7(6)3-2-4-9(8)10/h2-4,6H,5,10H2,1H3/t6-/m1/s1
InChIKeyRJBWLJBIDFATGN-ZCFIWIBFSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine?
The IUPAC name of (7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine (CID 125469550) is (7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine.
What is the SMILES notation for (7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine?
The canonical SMILES for (7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine is C[C@@H]1Cc2c(N)cccc21.
What is the InChIKey of (7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine?
The InChIKey is RJBWLJBIDFATGN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11N/c1-6-5-8-7(6)3-2-4-9(8)10/h2-4,6H,5,10H2,1H3/t6-/m1/s1.
What are the key properties of (7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine?
(7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine has a molecular weight of 133.19 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine is sourced from PubChem (CID 125469550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).