N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide

C11H17NO — CID 131196449

IUPACN-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CC2CC2C1
InChIInChI=1S/C11H17NO/c1-7(2)3-11(13)12-10-5-8-4-9(8)6-10/h3,8-10H,4-6H2,1-2H3,(H,12,13)
InChIKeyBEVGFVBAXRBEEL-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.87
Rot. Bonds2

About N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide

N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide (PubChem CID 131196449) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide
PubChem CID131196449
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CC2CC2C1
InChIInChI=1S/C11H17NO/c1-7(2)3-11(13)12-10-5-8-4-9(8)6-10/h3,8-10H,4-6H2,1-2H3,(H,12,13)
InChIKeyBEVGFVBAXRBEEL-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide (CID 131196449) is N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CC2CC2C1.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide?
The InChIKey is BEVGFVBAXRBEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)3-11(13)12-10-5-8-4-9(8)6-10/h3,8-10H,4-6H2,1-2H3,(H,12,13).
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide?
N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide has a molecular weight of 179.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-enamide is sourced from PubChem (CID 131196449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).