2-ethenylcyclobutan-1-amine

C6H11N — CID 147610634

IUPAC2-ethenylcyclobutan-1-amine
SMILESC=CC1CCC1N
InChIInChI=1S/C6H11N/c1-2-5-3-4-6(5)7/h2,5-6H,1,3-4,7H2
InChIKeyGBXXRZURHHLNSV-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.91
Rot. Bonds1

About 2-ethenylcyclobutan-1-amine

2-ethenylcyclobutan-1-amine (PubChem CID 147610634) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2-ethenylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethenylcyclobutan-1-amine
PubChem CID147610634
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2-ethenylcyclobutan-1-amine
SMILESC=CC1CCC1N
InChIInChI=1S/C6H11N/c1-2-5-3-4-6(5)7/h2,5-6H,1,3-4,7H2
InChIKeyGBXXRZURHHLNSV-UHFFFAOYSA-N
XLogP0.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.91
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 2-ethenylcyclobutan-1-amine?
The IUPAC name of 2-ethenylcyclobutan-1-amine (CID 147610634) is 2-ethenylcyclobutan-1-amine.
What is the SMILES notation for 2-ethenylcyclobutan-1-amine?
The canonical SMILES for 2-ethenylcyclobutan-1-amine is C=CC1CCC1N.
What is the InChIKey of 2-ethenylcyclobutan-1-amine?
The InChIKey is GBXXRZURHHLNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-2-5-3-4-6(5)7/h2,5-6H,1,3-4,7H2.
What are the key properties of 2-ethenylcyclobutan-1-amine?
2-ethenylcyclobutan-1-amine has a molecular weight of 97.16 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclobutan-1-amine is sourced from PubChem (CID 147610634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).