N-[(Z)-prop-1-enyl]ethenimine

C5H7N — CID 143648655

IUPACN-[(Z)-prop-1-enyl]ethenimine
SMILESC=C=N/C=C\C
InChIInChI=1S/C5H7N/c1-3-5-6-4-2/h3,5H,2H2,1H3/b5-3-
InChIKeyFOAVBTRURZLGQY-HYXAFXHYSA-N
MW81.12 g/mol
LogP1.38
Rot. Bonds1

About N-[(Z)-prop-1-enyl]ethenimine

N-[(Z)-prop-1-enyl]ethenimine (PubChem CID 143648655) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]ethenimine.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]ethenimine
PubChem CID143648655
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC NameN-[(Z)-prop-1-enyl]ethenimine
SMILESC=C=N/C=C\C
InChIInChI=1S/C5H7N/c1-3-5-6-4-2/h3,5H,2H2,1H3/b5-3-
InChIKeyFOAVBTRURZLGQY-HYXAFXHYSA-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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Related Compounds

(1E)-1-isocyanoprop-1-ene
CID 643195
Allylsenfol
CID 13011488
Methylene propyleneamine
CID 18740882
N-prop-1-enylmethanimine
CID 20770478
1-Isothiocyanatoprop-1-ene
CID 54292046
Dehydropyrrole
CID 57076056
(3z)-2-Azahexa-1,3,5-triene
CID 58734606
1-Isocyanoprop-1-ene
CID 71331230
2-Azahexa-1,3,5-triene
CID 72405812
(3e,5z)-2-Azahexa-1,3,5-triene
CID 129751294
N-[(Z)-prop-1-enyl]ethanimidoyl fluoride
CID 129055348
(Z)-1-isocyanoprop-1-ene
CID 21627790

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-prop-1-enyl]ethenimine?
The IUPAC name of N-[(Z)-prop-1-enyl]ethenimine (CID 143648655) is N-[(Z)-prop-1-enyl]ethenimine.
What is the SMILES notation for N-[(Z)-prop-1-enyl]ethenimine?
The canonical SMILES for N-[(Z)-prop-1-enyl]ethenimine is C=C=N/C=C\C.
What is the InChIKey of N-[(Z)-prop-1-enyl]ethenimine?
The InChIKey is FOAVBTRURZLGQY-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H7N/c1-3-5-6-4-2/h3,5H,2H2,1H3/b5-3-.
What are the key properties of N-[(Z)-prop-1-enyl]ethenimine?
N-[(Z)-prop-1-enyl]ethenimine 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-[(Z)-prop-1-enyl]ethenimine is sourced from PubChem (CID 143648655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).