N-cyclohexa-2,4-dien-1-ylidenemethanimidamide

C7H8N2 — CID 21019563

IUPACN-cyclohexa-2,4-dien-1-ylidenemethanimidamide
SMILES[H]/N=C/N=C1/C=CC=CC1
InChIInChI=1S/C7H8N2/c8-6-9-7-4-2-1-3-5-7/h1-4,6,8H,5H2/b8-6+,9-7-
InChIKeyQQBPCPMBRYECMM-FFELTBSMSA-N
MW120.15 g/mol
LogP1.55
Rot. Bonds1

About N-cyclohexa-2,4-dien-1-ylidenemethanimidamide

N-cyclohexa-2,4-dien-1-ylidenemethanimidamide (PubChem CID 21019563) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylidenemethanimidamide.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylidenemethanimidamide
PubChem CID21019563
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC NameN-cyclohexa-2,4-dien-1-ylidenemethanimidamide
SMILES[H]/N=C/N=C1/C=CC=CC1
InChIInChI=1S/C7H8N2/c8-6-9-7-4-2-1-3-5-7/h1-4,6,8H,5H2/b8-6+,9-7-
InChIKeyQQBPCPMBRYECMM-FFELTBSMSA-N
XLogP1.55
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.55
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'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-ylidenemethanimidamide?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylidenemethanimidamide (CID 21019563) is N-cyclohexa-2,4-dien-1-ylidenemethanimidamide.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylidenemethanimidamide?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylidenemethanimidamide is [H]/N=C/N=C1/C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylidenemethanimidamide?
The InChIKey is QQBPCPMBRYECMM-FFELTBSMSA-N. The full InChI is InChI=1S/C7H8N2/c8-6-9-7-4-2-1-3-5-7/h1-4,6,8H,5H2/b8-6+,9-7-.
What are the key properties of N-cyclohexa-2,4-dien-1-ylidenemethanimidamide?
N-cyclohexa-2,4-dien-1-ylidenemethanimidamide has a molecular weight of 120.15 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylidenemethanimidamide is sourced from PubChem (CID 21019563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).