(1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

C7H11FN2 — CID 55300118

IUPAC(1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESC[C@H]1CC(N)=N[C@@H]2[C@H](F)[C@@H]21
InChIInChI=1S/C7H11FN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5-,6+,7-/m0/s1
InChIKeySNRNNRIIJURRCR-OIADKPKDSA-N
MW142.18 g/mol
LogP0.72
Rot. Bonds

About (1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

(1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (PubChem CID 55300118) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.

Molecular Properties

Compound Name(1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
PubChem CID55300118
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESC[C@H]1CC(N)=N[C@@H]2[C@H](F)[C@@H]21
InChIInChI=1S/C7H11FN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5-,6+,7-/m0/s1
InChIKeySNRNNRIIJURRCR-OIADKPKDSA-N
XLogP0.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The IUPAC name of (1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (CID 55300118) is (1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.
What is the SMILES notation for (1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The canonical SMILES for (1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is C[C@H]1CC(N)=N[C@@H]2[C@H](F)[C@@H]21.
What is the InChIKey of (1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The InChIKey is SNRNNRIIJURRCR-OIADKPKDSA-N. The full InChI is InChI=1S/C7H11FN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5-,6+,7-/m0/s1.
What are the key properties of (1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
(1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine has a molecular weight of 142.18 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is sourced from PubChem (CID 55300118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).