(Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine

C8H13N3 — CID 168895404

IUPAC(Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(C)=N\[H])C1CNC1
InChIInChI=1S/C8H13N3/c1-6(9)2-3-8(10)7-4-11-5-7/h2-3,7,9-11H,4-5H2,1H3/b3-2-,9-6+,10-8-
InChIKeyRGFHVKDSIJJJEF-REYHLNHTSA-N
MW151.21 g/mol
LogP0.82
Rot. Bonds3

About (Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine

(Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine (PubChem CID 168895404) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine
PubChem CID168895404
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(C)=N\[H])C1CNC1
InChIInChI=1S/C8H13N3/c1-6(9)2-3-8(10)7-4-11-5-7/h2-3,7,9-11H,4-5H2,1H3/b3-2-,9-6+,10-8-
InChIKeyRGFHVKDSIJJJEF-REYHLNHTSA-N
XLogP0.82
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine
CID 155015228
(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane
CID 167485931
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane
CID 167486720
(Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride
CID 168895660
(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine
CID 167485932
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine
CID 167486721

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine?
The IUPAC name of (Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine (CID 168895404) is (Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine?
The canonical SMILES for (Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine is [H]/N=C(/C=C\C(C)=N\[H])C1CNC1.
What is the InChIKey of (Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine?
The InChIKey is RGFHVKDSIJJJEF-REYHLNHTSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(9)2-3-8(10)7-4-11-5-7/h2-3,7,9-11H,4-5H2,1H3/b3-2-,9-6+,10-8-.
What are the key properties of (Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine?
(Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine has a molecular weight of 151.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine is sourced from PubChem (CID 168895404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).