N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride

C10H10ClN — CID 118086288

IUPACN-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
SMILESC=c1cccc/c1=C/N=C(\C)Cl
InChIInChI=1S/C10H10ClN/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-7H,1H2,2H3/b10-7-,12-9+
InChIKeyHRWCWZVUZNAICK-PWZCAXEFSA-N
MW179.65 g/mol
LogP1.49
Rot. Bonds1

About N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride

N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride (PubChem CID 118086288) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
PubChem CID118086288
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC NameN-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
SMILESC=c1cccc/c1=C/N=C(\C)Cl
InChIInChI=1S/C10H10ClN/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-7H,1H2,2H3/b10-7-,12-9+
InChIKeyHRWCWZVUZNAICK-PWZCAXEFSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride?
The IUPAC name of N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride (CID 118086288) is N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride.
What is the SMILES notation for N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride?
The canonical SMILES for N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride is C=c1cccc/c1=C/N=C(\C)Cl.
What is the InChIKey of N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride?
The InChIKey is HRWCWZVUZNAICK-PWZCAXEFSA-N. The full InChI is InChI=1S/C10H10ClN/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-7H,1H2,2H3/b10-7-,12-9+.
What are the key properties of N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride?
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride has a molecular weight of 179.65 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride is sourced from PubChem (CID 118086288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).