2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine

C10H12N4O — CID 89086080

IUPAC2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1ccc(C=O)cc1
InChIInChI=1S/C10H12N4O/c1-7(13-14-10(11)12)9-4-2-8(6-15)3-5-9/h2-6H,1H3,(H4,11,12,14)/b13-7-
InChIKeySICRIVGTYNDMGY-QPEQYQDCSA-N
MW204.23 g/mol
LogP0.50
Rot. Bonds3

About 2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine

2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine (PubChem CID 89086080) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine
PubChem CID89086080
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1ccc(C=O)cc1
InChIInChI=1S/C10H12N4O/c1-7(13-14-10(11)12)9-4-2-8(6-15)3-5-9/h2-6H,1H3,(H4,11,12,14)/b13-7-
InChIKeySICRIVGTYNDMGY-QPEQYQDCSA-N
XLogP0.50
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]guanidine
CID 9017548
4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde
CID 142977797
2-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]guanidine;nitric acid
CID 135534479
4-formylbenzamide;methanamine
CID 144619239
2-[(E)-1-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261938
2-[1-[4-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]guanidine;bis(nitric acid)
CID 131881797
1-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-methylurea
CID 90261043
1-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[(E)-4-methylpent-1-enyl]phenyl]urea
CID 163196407
1-(4-bromophenyl)-3-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea
CID 25131059
2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine
CID 6061975
1-carbamimidoyl-1-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]guanidine;dihydrochloride
CID 24832561
2-[(Z)-1-[3-[3,5-bis[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine
CID 176917440

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine (CID 89086080) is 2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine is C/C(=N/N=C(N)N)c1ccc(C=O)cc1.
What is the InChIKey of 2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine?
The InChIKey is SICRIVGTYNDMGY-QPEQYQDCSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(13-14-10(11)12)9-4-2-8(6-15)3-5-9/h2-6H,1H3,(H4,11,12,14)/b13-7-.
What are the key properties of 2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine?
2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine has a molecular weight of 204.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 89086080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).