(Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride

C7H10ClN — CID 165410693

IUPAC(Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride
SMILESC=C(C)/N=C(Cl)/C=C\C
InChIInChI=1S/C7H10ClN/c1-4-5-7(8)9-6(2)3/h4-5H,2H2,1,3H3/b5-4-,9-7-
InChIKeyHTUHIWZJQSPUDL-PHSHQRSZSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About (Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride

(Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride (PubChem CID 165410693) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride
PubChem CID165410693
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride
SMILESC=C(C)/N=C(Cl)/C=C\C
InChIInChI=1S/C7H10ClN/c1-4-5-7(8)9-6(2)3/h4-5H,2H2,1,3H3/b5-4-,9-7-
InChIKeyHTUHIWZJQSPUDL-PHSHQRSZSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.73
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

(Z)-N-prop-1-en-2-ylbut-2-enimidoyl fluoride
CID 126641624
N-prop-1-en-2-ylethanimidoyl chloride
CID 89263766
(Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride
CID 89278892
N-prop-1-enylbut-2-enimidoyl chloride
CID 123346450
N-(3-chlorobut-2-en-2-yl)prop-2-en-1-imine
CID 123415998
N-[(1E)-1-chlorobuta-1,3-dienyl]propan-2-imine
CID 126748852
N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl chloride
CID 137546544
3-methyl-N-prop-1-en-2-ylbut-2-enimidoyl chloride
CID 138554186
N-[(Z)-but-2-en-2-yl]prop-2-enimidoyl chloride
CID 141923293
N-prop-1-en-2-ylprop-2-enimidoyl chloride
CID 143168261
ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride
CID 143507685
(Z)-N-but-1-en-2-ylbut-2-enimidoyl chloride
CID 144863362

Frequently Asked Questions

What is the IUPAC name of (Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride?
The IUPAC name of (Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride (CID 165410693) is (Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride?
The canonical SMILES for (Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride is C=C(C)/N=C(Cl)/C=C\C.
What is the InChIKey of (Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride?
The InChIKey is HTUHIWZJQSPUDL-PHSHQRSZSA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-5-7(8)9-6(2)3/h4-5H,2H2,1,3H3/b5-4-,9-7-.
What are the key properties of (Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride?
(Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride has a molecular weight of 143.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-prop-1-en-2-ylbut-2-enimidoyl chloride is sourced from PubChem (CID 165410693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).