2-ethenylcyclopropan-1-imine

C5H7N — CID 152749195

IUPAC2-ethenylcyclopropan-1-imine
SMILES[H]/N=C1\CC1C=C
InChIInChI=1S/C5H7N/c1-2-4-3-5(4)6/h2,4,6H,1,3H2/b6-5+
InChIKeyLAPHDROFVQAYOV-AATRIKPKSA-N
MW81.12 g/mol
LogP1.21
Rot. Bonds1

About 2-ethenylcyclopropan-1-imine

2-ethenylcyclopropan-1-imine (PubChem CID 152749195) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 2-ethenylcyclopropan-1-imine.

Molecular Properties

Compound Name2-ethenylcyclopropan-1-imine
PubChem CID152749195
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name2-ethenylcyclopropan-1-imine
SMILES[H]/N=C1\CC1C=C
InChIInChI=1S/C5H7N/c1-2-4-3-5(4)6/h2,4,6H,1,3H2/b6-5+
InChIKeyLAPHDROFVQAYOV-AATRIKPKSA-N
XLogP1.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.21
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-ethenylcyclopropan-1-imine?
The IUPAC name of 2-ethenylcyclopropan-1-imine (CID 152749195) is 2-ethenylcyclopropan-1-imine.
What is the SMILES notation for 2-ethenylcyclopropan-1-imine?
The canonical SMILES for 2-ethenylcyclopropan-1-imine is [H]/N=C1\CC1C=C.
What is the InChIKey of 2-ethenylcyclopropan-1-imine?
The InChIKey is LAPHDROFVQAYOV-AATRIKPKSA-N. The full InChI is InChI=1S/C5H7N/c1-2-4-3-5(4)6/h2,4,6H,1,3H2/b6-5+.
What are the key properties of 2-ethenylcyclopropan-1-imine?
2-ethenylcyclopropan-1-imine has a molecular weight of 81.12 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclopropan-1-imine is sourced from PubChem (CID 152749195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).