3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane

C11H17N — CID 130531791

IUPAC3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane
SMILESC=C(C)C=C1CC2CCC(C1)N2
InChIInChI=1S/C11H17N/c1-8(2)5-9-6-10-3-4-11(7-9)12-10/h5,10-12H,1,3-4,6-7H2,2H3
InChIKeySGTQSOZKGKXHIG-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.40
Rot. Bonds1

About 3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane

3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane (PubChem CID 130531791) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane
PubChem CID130531791
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane
SMILESC=C(C)C=C1CC2CCC(C1)N2
InChIInChI=1S/C11H17N/c1-8(2)5-9-6-10-3-4-11(7-9)12-10/h5,10-12H,1,3-4,6-7H2,2H3
InChIKeySGTQSOZKGKXHIG-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Methylpent-3-enyl)pyrrolidine
CID 10464523
3-Methylidene-8-azabicyclo[3.2.1]octane
CID 58902776
2-(4-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 163443954
3-Fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane
CID 112564532
8-Methyl-3-propylidene-8-azabicyclo[3.2.1]octane
CID 20594127
2-Hexa-2,4-dienylpiperidine
CID 54381021
2-Azabicyclo[3.2.1]oct-5-ene
CID 57766361
3-Pentyl-8-azabicyclo[3.2.1]oct-2-ene
CID 58968498
3-Butan-2-ylidene-8-azabicyclo[3.2.1]octane;yttrium
CID 59813155
1,6,6-Trimethyl-1,2,3,4-tetrahydrocyclopenta[c]pyridine
CID 67190186
3-Undecan-6-ylidene-8-azabicyclo[3.2.1]octane
CID 68556558
3-Butylidene-8-azabicyclo[3.2.1]octane
CID 68911083

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane (CID 130531791) is 3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane is C=C(C)C=C1CC2CCC(C1)N2.
What is the InChIKey of 3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane?
The InChIKey is SGTQSOZKGKXHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)5-9-6-10-3-4-11(7-9)12-10/h5,10-12H,1,3-4,6-7H2,2H3.
What are the key properties of 3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane?
3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane has a molecular weight of 163.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enylidene)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130531791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).