2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine

C9H13N3 — CID 123932039

IUPAC2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine
SMILESCC=N/C(N)=N\C1C=CC=CC1
InChIInChI=1S/C9H13N3/c1-2-11-9(10)12-8-6-4-3-5-7-8/h2-6,8H,7H2,1H3,(H2,10,12)
InChIKeyQPNONAWSWKQMPB-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.28
Rot. Bonds1

About 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine

2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine (PubChem CID 123932039) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine
PubChem CID123932039
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine
SMILESCC=N/C(N)=N\C1C=CC=CC1
InChIInChI=1S/C9H13N3/c1-2-11-9(10)12-8-6-4-3-5-7-8/h2-6,8H,7H2,1H3,(H2,10,12)
InChIKeyQPNONAWSWKQMPB-UHFFFAOYSA-N
XLogP1.28
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.28
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'}

Analyze 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexa-2,4-dien-1-ylbutan-1-imine
CID 123247925
2-(4-Methylcyclohexa-2,4-dien-1-yl)guanidine
CID 123579693
N-cyclohexa-2,4-dien-1-ylethanimine
CID 123696940
N'-cyclohexa-2,4-dien-1-ylmethanimidamide
CID 148799888
N'-cyclohexa-2,4-dien-1-ylethanimidamide
CID 150911079
N'-(6-methylcyclohexa-2,4-dien-1-yl)ethanimidamide
CID 160877342
2-butan-2-yl-1-[(E)-pent-2-enylidene]guanidine
CID 164157530
(2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine
CID 142304417

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine (CID 123932039) is 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine is CC=N/C(N)=N\C1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine?
The InChIKey is QPNONAWSWKQMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-11-9(10)12-8-6-4-3-5-7-8/h2-6,8H,7H2,1H3,(H2,10,12).
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine?
2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine has a molecular weight of 163.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine is sourced from PubChem (CID 123932039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).