3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane

C10H15N — CID 123515788

IUPAC3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane
SMILESC=CC(=C)CN1CC2CC2C1
InChIInChI=1S/C10H15N/c1-3-8(2)5-11-6-9-4-10(9)7-11/h3,9-10H,1-2,4-7H2
InChIKeyQYFCQOCSYPUHPJ-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.68
Rot. Bonds3

About 3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane

3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 123515788) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane
PubChem CID123515788
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane
SMILESC=CC(=C)CN1CC2CC2C1
InChIInChI=1S/C10H15N/c1-3-8(2)5-11-6-9-4-10(9)7-11/h3,9-10H,1-2,4-7H2
InChIKeyQYFCQOCSYPUHPJ-UHFFFAOYSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane (CID 123515788) is 3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane is C=CC(=C)CN1CC2CC2C1.
What is the InChIKey of 3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is QYFCQOCSYPUHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-8(2)5-11-6-9-4-10(9)7-11/h3,9-10H,1-2,4-7H2.
What are the key properties of 3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane?
3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 149.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 123515788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).