5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine

C11H19N — CID 156569386

IUPAC5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine
SMILESC/C=C\CC1C2CC(C)(NC)C12
InChIInChI=1S/C11H19N/c1-4-5-6-8-9-7-11(2,12-3)10(8)9/h4-5,8-10,12H,6-7H2,1-3H3/b5-4-
InChIKeyLEOKSUCBOVRRMF-PLNGDYQASA-N
MW165.28 g/mol
LogP2.20
Rot. Bonds3

About 5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine

5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine (PubChem CID 156569386) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine.

Molecular Properties

Compound Name5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine
PubChem CID156569386
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine
SMILESC/C=C\CC1C2CC(C)(NC)C12
InChIInChI=1S/C11H19N/c1-4-5-6-8-9-7-11(2,12-3)10(8)9/h4-5,8-10,12H,6-7H2,1-3H3/b5-4-
InChIKeyLEOKSUCBOVRRMF-PLNGDYQASA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
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 5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine?
The IUPAC name of 5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine (CID 156569386) is 5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine.
What is the SMILES notation for 5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine?
The canonical SMILES for 5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine is C/C=C\CC1C2CC(C)(NC)C12.
What is the InChIKey of 5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine?
The InChIKey is LEOKSUCBOVRRMF-PLNGDYQASA-N. The full InChI is InChI=1S/C11H19N/c1-4-5-6-8-9-7-11(2,12-3)10(8)9/h4-5,8-10,12H,6-7H2,1-3H3/b5-4-.
What are the key properties of 5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine?
5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-enyl]-N,2-dimethylbicyclo[2.1.0]pentan-2-amine is sourced from PubChem (CID 156569386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).