[2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide

C8H7Cl2N — CID 11769270

IUPAC[2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide
SMILES[N-]=C1C(CCl)=C[CH+]C=C1CCl
InChIInChI=1S/C8H7Cl2N/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2
InChIKeyXWRUGVFMIMMDEM-UHFFFAOYSA-N
MW188.06 g/mol
LogP2.55
Rot. Bonds2

About [2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide

[2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide (PubChem CID 11769270) has the molecular formula C8H7Cl2N and a molecular weight of 188.06 g/mol. Its IUPAC name is [2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide.

Molecular Properties

Compound Name[2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide
PubChem CID11769270
Molecular FormulaC8H7Cl2N
Molecular Weight188.06 g/mol
Exact Mass187.00
IUPAC Name[2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide
SMILES[N-]=C1C(CCl)=C[CH+]C=C1CCl
InChIInChI=1S/C8H7Cl2N/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2
InChIKeyXWRUGVFMIMMDEM-UHFFFAOYSA-N
XLogP2.55
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,6-dichloro-5-methylidenecyclohex-2-en-1-imine
CID 57167815
(6E)-2-(chloromethyl)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine
CID 10965259
[2-(Chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide
CID 101120030
2,6-Bis(chloromethyl)cyclohexa-2,5-dien-1-imine
CID 101120032

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide?
The IUPAC name of [2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide (CID 11769270) is [2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide.
What is the SMILES notation for [2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide?
The canonical SMILES for [2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide is [N-]=C1C(CCl)=C[CH+]C=C1CCl.
What is the InChIKey of [2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide?
The InChIKey is XWRUGVFMIMMDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2.
What are the key properties of [2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide?
[2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide has a molecular weight of 188.06 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide is sourced from PubChem (CID 11769270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).