N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide

C8H7IN2 — CID 118554455

IUPACN-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide
SMILES[H]/N=C/N=C1\C=CC=C\C1=C\I
InChIInChI=1S/C8H7IN2/c9-5-7-3-1-2-4-8(7)11-6-10/h1-6,10H/b7-5-,10-6+,11-8+
InChIKeyKSYXVKYGHDNIGZ-VOYFLOFJSA-N
MW258.06 g/mol
LogP2.48
Rot. Bonds1

About N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide

N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide (PubChem CID 118554455) has the molecular formula C8H7IN2 and a molecular weight of 258.06 g/mol. Its IUPAC name is N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide
PubChem CID118554455
Molecular FormulaC8H7IN2
Molecular Weight258.06 g/mol
Exact Mass257.97
IUPAC NameN-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide
SMILES[H]/N=C/N=C1\C=CC=C\C1=C\I
InChIInChI=1S/C8H7IN2/c9-5-7-3-1-2-4-8(7)11-6-10/h1-6,10H/b7-5-,10-6+,11-8+
InChIKeyKSYXVKYGHDNIGZ-VOYFLOFJSA-N
XLogP2.48
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.48
H-Bond Donors ≤ 51
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-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide?
The IUPAC name of N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide (CID 118554455) is N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide.
What is the SMILES notation for N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide?
The canonical SMILES for N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide is [H]/N=C/N=C1\C=CC=C\C1=C\I.
What is the InChIKey of N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide?
The InChIKey is KSYXVKYGHDNIGZ-VOYFLOFJSA-N. The full InChI is InChI=1S/C8H7IN2/c9-5-7-3-1-2-4-8(7)11-6-10/h1-6,10H/b7-5-,10-6+,11-8+.
What are the key properties of N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide?
N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide has a molecular weight of 258.06 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6Z)-6-(iodomethylidene)cyclohexa-2,4-dien-1-ylidene]methanimidamide is sourced from PubChem (CID 118554455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).