3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane

C10H17N — CID 135191049

IUPAC3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESC=C(C(C)C)N1CC2CC2C1
InChIInChI=1S/C10H17N/c1-7(2)8(3)11-5-9-4-10(9)6-11/h7,9-10H,3-6H2,1-2H3
InChIKeyQEFJUOUGORYTBH-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.11
Rot. Bonds2

About 3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane

3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 135191049) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID135191049
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESC=C(C(C)C)N1CC2CC2C1
InChIInChI=1S/C10H17N/c1-7(2)8(3)11-5-9-4-10(9)6-11/h7,9-10H,3-6H2,1-2H3
InChIKeyQEFJUOUGORYTBH-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane (CID 135191049) is 3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane is C=C(C(C)C)N1CC2CC2C1.
What is the InChIKey of 3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is QEFJUOUGORYTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)8(3)11-5-9-4-10(9)6-11/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane?
3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 151.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 135191049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).