N-prop-1-enylethenimine

C5H7N — CID 90970450

IUPACN-prop-1-enylethenimine
SMILESC=C=NC=CC
InChIInChI=1S/C5H7N/c1-3-5-6-4-2/h3,5H,2H2,1H3
InChIKeyFOAVBTRURZLGQY-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.38
Rot. Bonds1

About N-prop-1-enylethenimine

N-prop-1-enylethenimine (PubChem CID 90970450) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is N-prop-1-enylethenimine.

Molecular Properties

Compound NameN-prop-1-enylethenimine
PubChem CID90970450
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC NameN-prop-1-enylethenimine
SMILESC=C=NC=CC
InChIInChI=1S/C5H7N/c1-3-5-6-4-2/h3,5H,2H2,1H3
InChIKeyFOAVBTRURZLGQY-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-1-enylethenimine?
The IUPAC name of N-prop-1-enylethenimine (CID 90970450) is N-prop-1-enylethenimine.
What is the SMILES notation for N-prop-1-enylethenimine?
The canonical SMILES for N-prop-1-enylethenimine is C=C=NC=CC.
What is the InChIKey of N-prop-1-enylethenimine?
The InChIKey is FOAVBTRURZLGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-3-5-6-4-2/h3,5H,2H2,1H3.
What are the key properties of N-prop-1-enylethenimine?
N-prop-1-enylethenimine has a molecular weight of 81.12 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-enylethenimine is sourced from PubChem (CID 90970450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).