(1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide

C10H8ClN3 — CID 135051948

IUPAC(1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide
SMILESC/C(C#N)=N/N=C(\Cl)c1ccccc1
InChIInChI=1S/C10H8ClN3/c1-8(7-12)13-14-10(11)9-5-3-2-4-6-9/h2-6H,1H3/b13-8-,14-10-
InChIKeySNJZBCCKFRWHEI-GSPAGQKZSA-N
MW205.65 g/mol
LogP2.57
Rot. Bonds2

About (1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide

(1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide (PubChem CID 135051948) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is (1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide
PubChem CID135051948
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name(1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide
SMILESC/C(C#N)=N/N=C(\Cl)c1ccccc1
InChIInChI=1S/C10H8ClN3/c1-8(7-12)13-14-10(11)9-5-3-2-4-6-9/h2-6H,1H3/b13-8-,14-10-
InChIKeySNJZBCCKFRWHEI-GSPAGQKZSA-N
XLogP2.57
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
CID 6141172
acetic acid;N-hydroxybenzenecarboximidoyl chloride
CID 158315171
(Z)-3-hydroxy-2-methyl-3-phenylprop-2-enenitrile
CID 102248734
N-(2-cyanophenyl)benzenecarboximidoyl chloride
CID 13465821
(Z)-3-chloro-2,3-diphenylprop-2-enenitrile
CID 21395317
N-propan-2-ylbenzenecarboximidoyl chloride
CID 7131025
ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate
CID 129251287
2-(2-deuterio-1-phenylethylidene)propanedinitrile
CID 10797212
(E)-3-chloro-3-iodo-2-phenylprop-2-enenitrile
CID 134893810
N-(benzhydrylideneamino)benzenecarboximidoyl cyanide
CID 165353120
acetonitrile;1-phenylethanone
CID 67822280
3-chloro-3-(3-chlorophenyl)-2-methylprop-2-enenitrile
CID 76922289

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide (CID 135051948) is (1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide is C/C(C#N)=N/N=C(\Cl)c1ccccc1.
What is the InChIKey of (1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide?
The InChIKey is SNJZBCCKFRWHEI-GSPAGQKZSA-N. The full InChI is InChI=1S/C10H8ClN3/c1-8(7-12)13-14-10(11)9-5-3-2-4-6-9/h2-6H,1H3/b13-8-,14-10-.
What are the key properties of (1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide?
(1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide has a molecular weight of 205.65 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[(Z)-[chloro(phenyl)methylidene]amino]ethanimidoyl cyanide is sourced from PubChem (CID 135051948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).