(1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane

C8H12FN — CID 54313518

IUPAC(1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
SMILESC=C1C[C@H](C)[C@H]2[C@@H](F)[C@H]2N1
InChIInChI=1S/C8H12FN/c1-4-3-5(2)10-8-6(4)7(8)9/h4,6-8,10H,2-3H2,1H3/t4-,6-,7+,8-/m0/s1
InChIKeySMOAXIICLBVCGE-JPCMASIJSA-N
MW141.19 g/mol
LogP1.47
Rot. Bonds

About (1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane

(1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane (PubChem CID 54313518) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
PubChem CID54313518
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
SMILESC=C1C[C@H](C)[C@H]2[C@@H](F)[C@H]2N1
InChIInChI=1S/C8H12FN/c1-4-3-5(2)10-8-6(4)7(8)9/h4,6-8,10H,2-3H2,1H3/t4-,6-,7+,8-/m0/s1
InChIKeySMOAXIICLBVCGE-JPCMASIJSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The IUPAC name of (1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane (CID 54313518) is (1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane is C=C1C[C@H](C)[C@H]2[C@@H](F)[C@H]2N1.
What is the InChIKey of (1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The InChIKey is SMOAXIICLBVCGE-JPCMASIJSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-3-5(2)10-8-6(4)7(8)9/h4,6-8,10H,2-3H2,1H3/t4-,6-,7+,8-/m0/s1.
What are the key properties of (1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
(1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane has a molecular weight of 141.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 54313518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).