N-ethylcycloprop-2-en-1-imine

C5H7N — CID 163858320

IUPACN-ethylcycloprop-2-en-1-imine
SMILESCCN=c1cc1
InChIInChI=1S/C5H7N/c1-2-6-5-3-4-5/h3-4H,2H2,1H3
InChIKeyPAHPPFQGOKONPS-UHFFFAOYSA-N
MW81.12 g/mol
LogP0.48
Rot. Bonds1

About N-ethylcycloprop-2-en-1-imine

N-ethylcycloprop-2-en-1-imine (PubChem CID 163858320) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is N-ethylcycloprop-2-en-1-imine.

Molecular Properties

Compound NameN-ethylcycloprop-2-en-1-imine
PubChem CID163858320
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC NameN-ethylcycloprop-2-en-1-imine
SMILESCCN=c1cc1
InChIInChI=1S/C5H7N/c1-2-6-5-3-4-5/h3-4H,2H2,1H3
InChIKeyPAHPPFQGOKONPS-UHFFFAOYSA-N
XLogP0.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethylcycloprop-2-en-1-imine?
The IUPAC name of N-ethylcycloprop-2-en-1-imine (CID 163858320) is N-ethylcycloprop-2-en-1-imine.
What is the SMILES notation for N-ethylcycloprop-2-en-1-imine?
The canonical SMILES for N-ethylcycloprop-2-en-1-imine is CCN=c1cc1.
What is the InChIKey of N-ethylcycloprop-2-en-1-imine?
The InChIKey is PAHPPFQGOKONPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-2-6-5-3-4-5/h3-4H,2H2,1H3.
What are the key properties of N-ethylcycloprop-2-en-1-imine?
N-ethylcycloprop-2-en-1-imine has a molecular weight of 81.12 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylcycloprop-2-en-1-imine is sourced from PubChem (CID 163858320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).