(1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane

C11H19N — CID 129196547

IUPAC(1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
SMILESC=C(C)[C@@H]1[C@H]2C[C@H]2CN1C(C)C
InChIInChI=1S/C11H19N/c1-7(2)11-10-5-9(10)6-12(11)8(3)4/h8-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1
InChIKeyLVMHBJQIQYCMPE-GARJFASQSA-N
MW165.28 g/mol
LogP2.29
Rot. Bonds2

About (1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane

(1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 129196547) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID129196547
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
SMILESC=C(C)[C@@H]1[C@H]2C[C@H]2CN1C(C)C
InChIInChI=1S/C11H19N/c1-7(2)11-10-5-9(10)6-12(11)8(3)4/h8-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1
InChIKeyLVMHBJQIQYCMPE-GARJFASQSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane (CID 129196547) is (1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane is C=C(C)[C@@H]1[C@H]2C[C@H]2CN1C(C)C.
What is the InChIKey of (1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is LVMHBJQIQYCMPE-GARJFASQSA-N. The full InChI is InChI=1S/C11H19N/c1-7(2)11-10-5-9(10)6-12(11)8(3)4/h8-11H,1,5-6H2,2-4H3/t9-,10-,11+/m0/s1.
What are the key properties of (1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane?
(1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 165.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 129196547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).