1-(2-ethenylcyclopropyl)ethanimine

C7H11N — CID 142996662

IUPAC1-(2-ethenylcyclopropyl)ethanimine
SMILES[H]/N=C(\C)C1CC1C=C
InChIInChI=1S/C7H11N/c1-3-6-4-7(6)5(2)8/h3,6-8H,1,4H2,2H3/b8-5+
InChIKeyPLKUCDKXXBJFKH-VMPITWQZSA-N
MW109.17 g/mol
LogP1.85
Rot. Bonds2

About 1-(2-ethenylcyclopropyl)ethanimine

1-(2-ethenylcyclopropyl)ethanimine (PubChem CID 142996662) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-(2-ethenylcyclopropyl)ethanimine.

Molecular Properties

Compound Name1-(2-ethenylcyclopropyl)ethanimine
PubChem CID142996662
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-(2-ethenylcyclopropyl)ethanimine
SMILES[H]/N=C(\C)C1CC1C=C
InChIInChI=1S/C7H11N/c1-3-6-4-7(6)5(2)8/h3,6-8H,1,4H2,2H3/b8-5+
InChIKeyPLKUCDKXXBJFKH-VMPITWQZSA-N
XLogP1.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

1-(2-Fluorocycloprop-2-en-1-yl)propan-2-imine
CID 132093354
1-(2-Ethenylcyclopropyl)ethanone oxime
CID 6366862
1-(2-Ethenyl-1-fluorocyclopropyl)ethanimine
CID 142996690
5-(2-Ethenylcyclopropyl)pent-1-en-3-imine
CID 90754586
4-Methylhept-6-en-3-imine
CID 123204332
4-Methylhept-6-en-2-imine
CID 123395995
3-Propyloct-7-en-2-imine
CID 123397388
4-Methylhex-5-en-2-imine
CID 124028370
3-Propylhex-5-en-2-imine
CID 142132618
(2R)-2-ethenylcyclopentan-1-imine
CID 144786080
3,5-Dimethylhex-5-en-2-imine
CID 147395986
2-Cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine
CID 147666714

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylcyclopropyl)ethanimine?
The IUPAC name of 1-(2-ethenylcyclopropyl)ethanimine (CID 142996662) is 1-(2-ethenylcyclopropyl)ethanimine.
What is the SMILES notation for 1-(2-ethenylcyclopropyl)ethanimine?
The canonical SMILES for 1-(2-ethenylcyclopropyl)ethanimine is [H]/N=C(\C)C1CC1C=C.
What is the InChIKey of 1-(2-ethenylcyclopropyl)ethanimine?
The InChIKey is PLKUCDKXXBJFKH-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11N/c1-3-6-4-7(6)5(2)8/h3,6-8H,1,4H2,2H3/b8-5+.
What are the key properties of 1-(2-ethenylcyclopropyl)ethanimine?
1-(2-ethenylcyclopropyl)ethanimine has a molecular weight of 109.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylcyclopropyl)ethanimine is sourced from PubChem (CID 142996662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).