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

C11H19N — CID 54020223

IUPAC(1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane
SMILESC=C1C[C@H](C)[C@H]2[C@H](CCC)[C@H]2N1
InChIInChI=1S/C11H19N/c1-4-5-9-10-7(2)6-8(3)12-11(9)10/h7,9-12H,3-6H2,1-2H3/t7-,9-,10-,11+/m0/s1
InChIKeyKYKCKQQYFIDPNJ-DMLMCSCLSA-N
MW165.28 g/mol
LogP2.54
Rot. Bonds2

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

(1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane (PubChem CID 54020223) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane
PubChem CID54020223
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane
SMILESC=C1C[C@H](C)[C@H]2[C@H](CCC)[C@H]2N1
InChIInChI=1S/C11H19N/c1-4-5-9-10-7(2)6-8(3)12-11(9)10/h7,9-12H,3-6H2,1-2H3/t7-,9-,10-,11+/m0/s1
InChIKeyKYKCKQQYFIDPNJ-DMLMCSCLSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane (CID 54020223) is (1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane is C=C1C[C@H](C)[C@H]2[C@H](CCC)[C@H]2N1.
What is the InChIKey of (1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane?
The InChIKey is KYKCKQQYFIDPNJ-DMLMCSCLSA-N. The full InChI is InChI=1S/C11H19N/c1-4-5-9-10-7(2)6-8(3)12-11(9)10/h7,9-12H,3-6H2,1-2H3/t7-,9-,10-,11+/m0/s1.
What are the key properties of (1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane?
(1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane has a molecular weight of 165.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 54020223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).