(Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride

C7H10ClN3 — CID 168895660

IUPAC(Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(=N\[H])C1CNC1
InChIInChI=1S/C7H10ClN3/c8-7(10)2-1-6(9)5-3-11-4-5/h1-2,5,9-11H,3-4H2/b2-1-,9-6-,10-7-
InChIKeyLGZNNUOBWZWAHS-NRJLRVGXSA-N
MW171.63 g/mol
LogP1.00
Rot. Bonds3

About (Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride

(Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride (PubChem CID 168895660) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is (Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride
PubChem CID168895660
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name(Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(=N\[H])C1CNC1
InChIInChI=1S/C7H10ClN3/c8-7(10)2-1-6(9)5-3-11-4-5/h1-2,5,9-11H,3-4H2/b2-1-,9-6-,10-7-
InChIKeyLGZNNUOBWZWAHS-NRJLRVGXSA-N
XLogP1.00
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.00
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

(Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine
CID 168895404

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride?
The IUPAC name of (Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride (CID 168895660) is (Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride?
The canonical SMILES for (Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride is [H]/N=C(Cl)/C=C\C(=N\[H])C1CNC1.
What is the InChIKey of (Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride?
The InChIKey is LGZNNUOBWZWAHS-NRJLRVGXSA-N. The full InChI is InChI=1S/C7H10ClN3/c8-7(10)2-1-6(9)5-3-11-4-5/h1-2,5,9-11H,3-4H2/b2-1-,9-6-,10-7-.
What are the key properties of (Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride?
(Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride has a molecular weight of 171.63 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(azetidin-3-yl)-4-iminobut-2-enimidoyl chloride is sourced from PubChem (CID 168895660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).