2-cycloprop-2-en-1-ylbutan-1-imine

C7H11N — CID 126515589

IUPAC2-cycloprop-2-en-1-ylbutan-1-imine
SMILES[H]/N=C/C(CC)C1C=C1
InChIInChI=1S/C7H11N/c1-2-6(5-8)7-3-4-7/h3-8H,2H2,1H3/b8-5+
InChIKeyNQMYAYRLZYWGFN-VMPITWQZSA-N
MW109.17 g/mol
LogP1.85
Rot. Bonds3

About 2-cycloprop-2-en-1-ylbutan-1-imine

2-cycloprop-2-en-1-ylbutan-1-imine (PubChem CID 126515589) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-cycloprop-2-en-1-ylbutan-1-imine.

Molecular Properties

Compound Name2-cycloprop-2-en-1-ylbutan-1-imine
PubChem CID126515589
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-cycloprop-2-en-1-ylbutan-1-imine
SMILES[H]/N=C/C(CC)C1C=C1
InChIInChI=1S/C7H11N/c1-2-6(5-8)7-3-4-7/h3-8H,2H2,1H3/b8-5+
InChIKeyNQMYAYRLZYWGFN-VMPITWQZSA-N
XLogP1.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cycloprop-2-en-1-ylbutan-1-imine?
The IUPAC name of 2-cycloprop-2-en-1-ylbutan-1-imine (CID 126515589) is 2-cycloprop-2-en-1-ylbutan-1-imine.
What is the SMILES notation for 2-cycloprop-2-en-1-ylbutan-1-imine?
The canonical SMILES for 2-cycloprop-2-en-1-ylbutan-1-imine is [H]/N=C/C(CC)C1C=C1.
What is the InChIKey of 2-cycloprop-2-en-1-ylbutan-1-imine?
The InChIKey is NQMYAYRLZYWGFN-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11N/c1-2-6(5-8)7-3-4-7/h3-8H,2H2,1H3/b8-5+.
What are the key properties of 2-cycloprop-2-en-1-ylbutan-1-imine?
2-cycloprop-2-en-1-ylbutan-1-imine has a molecular weight of 109.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloprop-2-en-1-ylbutan-1-imine is sourced from PubChem (CID 126515589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).