N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide

C10H11IN2 — CID 129296896

IUPACN-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide
SMILESC=C1C=C(I)C=C/C1=N\C(C)=N\C
InChIInChI=1S/C10H11IN2/c1-7-6-9(11)4-5-10(7)13-8(2)12-3/h4-6H,1H2,2-3H3/b12-8+,13-10+
InChIKeyMENRMYANWZUCCQ-SDCOAONHSA-N
MW286.12 g/mol
LogP2.92
Rot. Bonds

About N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide

N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide (PubChem CID 129296896) has the molecular formula C10H11IN2 and a molecular weight of 286.12 g/mol. Its IUPAC name is N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide
PubChem CID129296896
Molecular FormulaC10H11IN2
Molecular Weight286.12 g/mol
Exact Mass286.00
IUPAC NameN-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide
SMILESC=C1C=C(I)C=C/C1=N\C(C)=N\C
InChIInChI=1S/C10H11IN2/c1-7-6-9(11)4-5-10(7)13-8(2)12-3/h4-6H,1H2,2-3H3/b12-8+,13-10+
InChIKeyMENRMYANWZUCCQ-SDCOAONHSA-N
XLogP2.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide?
The IUPAC name of N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide (CID 129296896) is N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide.
What is the SMILES notation for N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide?
The canonical SMILES for N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide is C=C1C=C(I)C=C/C1=N\C(C)=N\C.
What is the InChIKey of N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide?
The InChIKey is MENRMYANWZUCCQ-SDCOAONHSA-N. The full InChI is InChI=1S/C10H11IN2/c1-7-6-9(11)4-5-10(7)13-8(2)12-3/h4-6H,1H2,2-3H3/b12-8+,13-10+.
What are the key properties of N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide?
N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide has a molecular weight of 286.12 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide is sourced from PubChem (CID 129296896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).