6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride

C10H14ClN — CID 126499579

IUPAC6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride
SMILES[H]/N=C(\Cl)C1=C(C)C=CCC1CC
InChIInChI=1S/C10H14ClN/c1-3-8-6-4-5-7(2)9(8)10(11)12/h4-5,8,12H,3,6H2,1-2H3/b12-10-
InChIKeyYAFHYDLTGQSSIA-BENRWUELSA-N
MW183.68 g/mol
LogP3.51
Rot. Bonds2

About 6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride

6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride (PubChem CID 126499579) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride.

Molecular Properties

Compound Name6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride
PubChem CID126499579
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride
SMILES[H]/N=C(\Cl)C1=C(C)C=CCC1CC
InChIInChI=1S/C10H14ClN/c1-3-8-6-4-5-7(2)9(8)10(11)12/h4-5,8,12H,3,6H2,1-2H3/b12-10-
InChIKeyYAFHYDLTGQSSIA-BENRWUELSA-N
XLogP3.51
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.51
H-Bond Donors ≤ 51
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 6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride?
The IUPAC name of 6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride (CID 126499579) is 6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride.
What is the SMILES notation for 6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride?
The canonical SMILES for 6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride is [H]/N=C(\Cl)C1=C(C)C=CCC1CC.
What is the InChIKey of 6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride?
The InChIKey is YAFHYDLTGQSSIA-BENRWUELSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-8-6-4-5-7(2)9(8)10(11)12/h4-5,8,12H,3,6H2,1-2H3/b12-10-.
What are the key properties of 6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride?
6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride has a molecular weight of 183.68 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride is sourced from PubChem (CID 126499579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).